Ethyl 3-Nitropyridine-2-carboxylate - CAS 229343-13-9

Catalog:	BB017827
Product Name:	Ethyl 3-Nitropyridine-2-carboxylate
CAS:	229343-13-9
Synonyms:	3-nitro-2-pyridinecarboxylic acid ethyl ester; ethyl 3-nitropyridine-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 3-nitropyridine-2-carboxylate
Description:	Ethyl 3-Nitropyridine-2-carboxylate (CAS# 229343-13-9) is a useful research chemical.
Molecular Weight:	196.16
Molecular Formula:	C8H8N2O4
Canonical SMILES:	CCOC(=O)C1=C(C=CC=N1)[N+](=O)[O-]
InChI:	InChI=1S/C8H8N2O4/c1-2-14-8(11)7-6(10(12)13)4-3-5-9-7/h3-5H,2H2,1H3
InChI Key:	IBHCPBWFCRFRTR-UHFFFAOYSA-N
LogP:	1.68970

Publication Number	Title	Priority Date
JP-2021042230-A	Azabenzimidazole and its use as an AMAP receptor regulator	20150429
CZ-20002292-A3	Ortho-anthranilamide derivatives as anticoagulants, pharmaceutical preparation in which those derivatives and comprised and their use	19981127
AU-1875999-A	Ortho-anthranilamide derivatives as anti-coagulants	19971219
AU-751856-B2	Ortho-anthranilamide derivatives as anti-coagulants	19971219
CN-1143855-C	I (ortho)-anthranilamide derivatives as anti-coagulants	19971219

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Complexity:	226
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.04840674
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	196.04840674
Rotatable Bond Count:	3
Topological Polar Surface Area:	85
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2