2-Bromo-5-nitropyridine-4-carboxylic Acid - CAS 1053655-82-5

Catalog:	BB001618
Product Name:	2-Bromo-5-nitropyridine-4-carboxylic Acid
CAS:	1053655-82-5
Synonyms:	2-bromo-5-nitro-4-pyridinecarboxylic acid; 2-bromo-5-nitropyridine-4-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-5-nitropyridine-4-carboxylic acid
Description:	2-Bromo-5-nitropyridine-4-carboxylic Acid (CAS# 1053655-82-5) is a useful building block.
Molecular Weight:	247.00
Molecular Formula:	C6H3BrN2O4
Canonical SMILES:	C1=C(C(=CN=C1Br)[N+](=O)[O-])C(=O)O
InChI:	InChI=1S/C6H3BrN2O4/c7-5-1-3(6(10)11)4(2-8-5)9(12)13/h1-2H,(H,10,11)
InChI Key:	YISYYAZCRUHFBZ-UHFFFAOYSA-N
LogP:	1.97370

Publication Number	Title	Priority Date
US-2020048242-A1	Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases	20180809
US-11053235-B2	Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases	20180809
WO-2020001448-A1	Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases	20180626
AU-2019296117-A1	Dihydropyrimidine derivatives and uses thereof in the treatment of HBV infection or of HBV-induced diseases	20180626
CA-3099605-A1	Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases	20180626

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GHS Hazard Statement:	H302 (50%): 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:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	245.92762
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	245.92762
Rotatable Bond Count:	1
Topological Polar Surface Area:	96 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2