4-Pyridinecarboxylic acid
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4-Pyridinecarboxylic acid
structure -
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CAS No:
55-22-1
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Formula:
C6H5NO2
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Chemical Name:
4-Pyridinecarboxylic acid
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Synonyms:
4-Pyridinecarboxylic acid;Isonicotinic acid;γ-Picolinic acid;4-Carboxypyridine;4-Picolinic acid;p-Pyridinecarboxylic acid;γ-Pyridinecarboxylic acid;4-Pyridylcarboxylic acid;NSC 1483;1580002-27-2
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CAS No:
Description
Isonicotinic acid is a metabolite of Isoniazid. Isoniazid is converted to Isonicotinic acid by hydrazinolysis, with the Isoniazid to Isonicotinic acid biotransformation also to be catalyzed by cytochrome P450 (CYP) enzymes, e.g., CYP2C[1].
Isonicotinic acid is a pyridinemonocarboxylic acid in which the carboxy group is at position 4 of the pyridine ring. It has a role as a human metabolite and an algal metabolite. It is a conjugate acid of an isonicotinate.|Heterocyclic acids that are derivatives of 4-pyridinecarboxylic acid (isonicotinic acid).
4-Pyridinecarboxylic acid Basic Attributes
123.11
123.11
109599
200-228-2
Y8SYN761TQ
1483
DTXSID8020757
29333999
Characteristics
50.2
0.4
yellow to tan powder
1.47 g/cm3
315 °C
119-120 °C @ Press: 1 Torr
260°C/15mm
1.571
H2O: 5.2 g/L (20 ºC)
-20°C
LD50 orally in Rabbit: 5000 mg/kg
Safety Information
NONH for all modes of transport
2
36/37/38
26-36
NS1103000
Xi
Stable under normal temperatures and pressures.
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (93.1%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 70 companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Pyridinecarboxylic acid Use and Manufacturing
Used in the biological study of differentiation induced by nicotinic acid, nicotinamide and isonicotinic acid in human leukemia cell lines
4-Pyridinecarboxylic acid: ACTIVE
Computed Properties
Molecular Weight:123.11
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:123.032028402
Monoisotopic Mass:123.032028402
Topological Polar Surface Area:50.2
Heavy Atom Count:9
Complexity:108
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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