6-Chloro-5-nitronicotinic Acid - CAS 7477-10-3

Catalog:	BB035156
Product Name:	6-Chloro-5-nitronicotinic Acid
CAS:	7477-10-3
Synonyms:	6-chloro-5-nitro-3-pyridinecarboxylic acid; 6-chloro-5-nitropyridine-3-carboxylic acid

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Computed Properties

IUPAC Name:	6-chloro-5-nitropyridine-3-carboxylic acid
Description:	6-Chloro-5-nitronicotinic Acid (CAS# 7477-10-3) is a useful research chemical.
Molecular Weight:	202.55
Molecular Formula:	C6H3ClN2O4
Canonical SMILES:	C1=C(C=NC(=C1[N+](=O)[O-])Cl)C(=O)O
InChI:	InChI=1S/C6H3ClN2O4/c7-5-4(9(12)13)1-3(2-8-5)6(10)11/h1-2H,(H,10,11)
InChI Key:	HCRHNMXCDNACMH-UHFFFAOYSA-N
Boiling Point:	401.3 °C at 760 mmHg
Density:	1.702 g/cm³
MDL:	MFCD09027297
LogP:	1.86460

Publication Number	Title	Priority Date
CN-113248427-A	Sulfonamide nicotinic acid derivative, amido nicotinic acid derivative, preparation method and application thereof	20210601
CN-113429426-A	Amide compound and preparation method and application thereof	20200323
CN-112441970-A	2, 5-disubstituted-3-aminopyridine compound and preparation method and application thereof	20190904
US-2021032269-A1	Sting agonist compounds and methods of use	20190802
WO-2021026009-A1	Bis-[n-((5-carbamoyl)-1h-benzo[d]imidazol-2-yl)-pyrazol-5-carboxamide] derivatives and related compounds as sting (stimulator of interferon genes) agonists for the treatment of cancer	20190802

PMID	Publication Date	Title	Journal
11150171	20001228	5-Azidoimidacloprid and an acyclic analogue as candidate photoaffinity probes for mammalian and insect nicotinic acetylcholine receptors	Journal of medicinal chemistry

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GHS Hazard Statement:	H302 (85.71%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, 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:	201.9781343
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	201.9781343
Rotatable Bond Count:	1
Topological Polar Surface Area:	96 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2