Methyl 6-hydroxy-5-nitropyridine-3-carboxylate - CAS 222970-61-8

Name: Methyl 6-hydroxy-5-nitropyridine-3-carboxylate
Brand: BOC Sciences
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Catalog:	BB017514
Product Name:	Methyl 6-hydroxy-5-nitropyridine-3-carboxylate
CAS:	222970-61-8
Synonyms:	methyl 5-nitro-6-oxo-1H-pyridine-3-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 5-nitro-6-oxo-1H-pyridine-3-carboxylate
Description:	Methyl 6-hydroxy-5-nitropyridine-3-carboxylate (CAS# 222970-61-8) is a useful research chemical.
Molecular Weight:	198.13
Molecular Formula:	C7H6N2O5
Canonical SMILES:	COC(=O)C1=CNC(=O)C(=C1)[N+](=O)[O-]
InChI:	InChI=1S/C7H6N2O5/c1-14-7(11)4-2-5(9(12)13)6(10)8-3-4/h2-3H,1H3,(H,8,10)
InChI Key:	ILGFGEIQCLRIBI-UHFFFAOYSA-N
Boiling Point:	365.4 °C at 760 mmHg
Density:	1.49 g/cm³
MDL:	MFCD07357382
LogP:	0.59290

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Related Functional Groups

Pyridines

[4926-28-7]C6H6BrN
2-Bromo-4-methylpyridine
[267242-99-9]C9H10ClN
2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
[7356-60-7]C6H8ClN3
3-Amidinopyridine Hydrochloride
[1087659-19-5]C14H12N2O4
3-Methoxy-5-(phenylcarbamoyl)isonicotinic acid
[133928-61-7]C12H9ClN2O
4-Chloro-N-phenylpicolinamide
[2092299-60-8]C9H7ClN2
6-Chloro-3-cyclopropylpicolinonitrile

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
AU-2016375634-A1	Bicyclic hydroxamic acids useful as inhibitors of mammalian histone deacetylase activity	20151222
CN-108602812-A	It can be used as the bicycle hydroxamic acid compound of the inhibitor of mammal histone deacetylase activity	20151222
EP-3394052-A1	Bicyclic hydroxamic acids useful as inhibitors of mammalian histone deacetylase activity	20151222
US-10654814-B2	Bicyclic hydroxamic acids useful as inhibitors of mammalian histone deacetylase activity	20151222
US-2019284147-A1	Bicyclic hydroxamic acids useful as inhibitors of mammalian histone deacetylase activity	20151222

Complexity:	363
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.02767130
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	198.02767130
Rotatable Bond Count:	2
Topological Polar Surface Area:	101 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2