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3-Nitroisonicotinic acid

3-Nitroisonicotinic acid structure

CAS No:
59290-82-3
Formula:
C6H4N2O4
Chemical Name:
3-Nitroisonicotinic acid
Synonyms:
4-Pyridinecarboxylic acid,3-nitro-;Isonicotinic acid,3-nitro-;3-Nitro-4-pyridinecarboxylic acid;3-Nitroisonicotinic acid;4-Carboxy-3-nitropyridine;3-Nitropyridine-4-carboxylic acid
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Light green solid

3-Nitroisonicotinic acid Basic Attributes

Molecular Weight：

168.11

Exact Mass：

168.11

DSSTox ID：

DTXSID80376578

HScode：

2933399090

Characteristics

PSA：

XLogP3：

0.2

Density：

1.6±0.1 g/cm3

Melting Point：

217 °C

Boiling Point：

467.3°C at 760 mmHg

Flash Point：

236.4±24.6 °C

Refractive Index：

1.625

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36/37/39

3-Nitroisonicotinic acid Use and Manufacturing

A mixture of A mixture of Example 87; N-MethvI-3-(2-(2-oxoindolin-5-vIamino)-5-ftrifluoromethyl)pyridin-4-ylamino)isonicotinamide; JV-Methyl-3-nitroisonicotinamide;

Computed Properties

Molecular Weight:168.11
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:168.01710661
Monoisotopic Mass:168.01710661
Topological Polar Surface Area:96
Heavy Atom Count:12
Complexity:200
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes