2-Hydroxy-6-methyl-3-nitropyridine - CAS 39745-39-6

Catalog:	BB024119
Product Name:	2-Hydroxy-6-methyl-3-nitropyridine
CAS:	39745-39-6
Synonyms:	6-methyl-3-nitro-1H-pyridin-2-one

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Computed Properties

IUPAC Name:	6-methyl-3-nitro-1H-pyridin-2-one
Description:	2-Hydroxy-6-methyl-3-nitropyridine (CAS# 39745-39-6) is a useful research chemical.
Molecular Weight:	154.12
Molecular Formula:	C6H6N2O3
Canonical SMILES:	CC1=CC=C(C(=O)N1)[N+](=O)[O-]
InChI:	InChI=1S/C6H6N2O3/c1-4-2-3-5(8(10)11)6(9)7-4/h2-3H,1H3,(H,7,9)
InChI Key:	YVYDGIGILRUPED-UHFFFAOYSA-N
Boiling Point:	356.2 °C at 760 mmHg
Density:	1.36 g/cm³
Appearance:	Yellow crystalline powder
MDL:	MFCD03001414
LogP:	1.52700

Publication Number	Title	Priority Date
WO-2021110805-A1	Combination of an azetidine lpa1 receptor antagonist with pirfenidone and/or nintedanib for use in the treatment of fibrotic diseases	20191204
WO-2020033784-A1	Transglutaminase 2 (tg2) inhibitors	20180810
TW-202023553-A	Transglutaminase 2 (tg2) inhibitors	20180810
AU-2019318543-A1	Transglutaminase 2 (TG2) inhibitors	20180810
CN-112789040-A	Transglutaminase 2(TG2) inhibitors	20180810

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Related Functional Groups

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GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	272
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.03784206
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	154.03784206
Rotatable Bond Count:	0
Topological Polar Surface Area:	74.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6