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4-Hydroxynicotinic acid

4-Hydroxynicotinic acid structure

CAS No:
609-70-1
Formula:
C6H5NO3
Chemical Name:
4-Hydroxynicotinic acid
Synonyms:
3-Pyridinecarboxylic acid,4-hydroxy-;Nicotinic acid,4-hydroxy-;4-Hydroxy-3-pyridinecarboxylic acid;4-Hydroxynicotinic acid;4-Hydroxypyridine-3-carboxylic acid
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Off-white to light yellow solid

4-Hydroxynicotinic acid Basic Attributes

Molecular Weight：

139.11

Exact Mass：

139.11

EC Number：

210-197-7

HScode：

29333990

Characteristics

PSA：

66.4

XLogP3：

0.4

Density：

1.5±0.1 g/cm3

Melting Point：

245-247 °C

Boiling Point：

312.7°C at 760 mmHg

Flash Point：

142.9±27.9 °C

Refractive Index：

1.579

Water Solubility：

soluble in 0.1 M NaOH: 0.1 g/mL.

Storage Conditions：

Keep Cold

Safety Information

hazard class code：

36/37/38-20/21/22

safety instructions：

36/37/39-36/37-24/25

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (86.36%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-hydroxy-3-pyridinecarboxylic acid

4-Hydroxynicotinic acid Use and Manufacturing

(b) (4-Hydroxynicotinic acid) mutilin 14-ester The product of step (a) was rearranged according to the procedure of Example 14, step (b) to provide the title compound as a white solid (20 mg). MS (-ve ion electrospray) m/z 440([M-H]-, 10%), 138 (100%).Step 1 Methyl 4-hydroxynicotinate In a 500 ml four-necked flask equipped with a stirring, thermometer, and reflux condenser, 120 g of methanol and 11.3 g (0.05 mol) of the 3, 5-dichloropiperidine-4-one-3-carboxylic acid methyl ester obtained in Example 3 , 15.0 g of potassium carbonate, stirred at 40-45 C for 3 hours, cooled to 20-25 C, added 12.0 g (0.06 mol) of 20% aqueous sodium hydroxide solution, stirred at 30-35 C for 2 hours, cooled to 20-25 , 30% hydrochloric acid acidification system pH value is 2.5-3.0, filtered and dried to obtain 6.33 g of white solid

Computed Properties

Molecular Weight:139.11
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:139.026943022
Monoisotopic Mass:139.026943022
Topological Polar Surface Area:66.4
Heavy Atom Count:10
Complexity:239
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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