3-Nitropyridine-2-carboxylic Acid - CAS 59290-85-6

Catalog:	BB030330
Product Name:	3-Nitropyridine-2-carboxylic Acid
CAS:	59290-85-6
Synonyms:	3-nitro-2-pyridinecarboxylic acid; 3-nitropyridine-2-carboxylic acid

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Computed Properties

IUPAC Name:	3-nitropyridine-2-carboxylic acid
Description:	3-Nitropyridine-2-carboxylic Acid (CAS# 59290-85-6) is a useful research chemical.
Molecular Weight:	168.11
Molecular Formula:	C6H4N2O4
Canonical SMILES:	C1=CC(=C(N=C1)C(=O)O)[N+](=O)[O-]
InChI:	InChI=1S/C6H4N2O4/c9-6(10)5-4(8(11)12)2-1-3-7-5/h1-3H,(H,9,10)
InChI Key:	ZUUJWCKWJJGJOE-UHFFFAOYSA-N
Boiling Point:	369.5 °C at 760 mmHg
Density:	1.57 g/cm³
LogP:	1.21120

Publication Number	Title	Priority Date
CN-108586334-A	A kind of preparation method without transition metal-catalyzed 2- haloperidid compounds	20180706
AU-2016297087-A1	Methods of preparing cytotoxic benzodiazepine derivatives	20150721
AU-2016297607-A1	Methods of preparing cytotoxic benzodiazepine derivatives	20150721
AU-2016297608-A1	Methods of preparing cytotoxic benzodiazepine derivatives	20150721
CA-2991305-A1	Methods of preparing cytotoxic benzodiazepine derivatives	20150721

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	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
Signal Word:	Warning

Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.01710661
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	168.01710661
Rotatable Bond Count:	1
Topological Polar Surface Area:	96 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5