6-Amino-3-nitro-2-methylpyridine - CAS 22280-62-2

Catalog:	BB017500
Product Name:	6-Amino-3-nitro-2-methylpyridine
CAS:	22280-62-2
Synonyms:	6-methyl-5-nitro-2-pyridinamine; 6-methyl-5-nitropyridin-2-amine

Technical Data

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Computed Properties

IUPAC Name:	6-methyl-5-nitropyridin-2-amine
Description:	6-Amino-3-nitro-2-methylpyridine (CAS# 22280-62-2) is a useful research chemical.
Molecular Weight:	153.14
Molecular Formula:	C6H7N3O2
Canonical SMILES:	CC1=C(C=CC(=N1)N)[N+](=O)[O-]
InChI:	InChI=1S/C6H7N3O2/c1-4-5(9(10)11)2-3-6(7)8-4/h2-3H,1H3,(H2,7,8)
InChI Key:	BGMZTBKXOFFTBJ-UHFFFAOYSA-N
Boiling Point:	327.3 °C at 760 mmHg
Density:	1.354 g/cm³
Appearance:	Beige brown powder
MDL:	MFCD00053582
LogP:	1.98480

Publication Number	Title	Priority Date
CN-109232402-A	A kind of preparation method for the nitrogenous hexa-member heterocycle class compound that 2- amino replaces	20181009
WO-2019193540-A1	Heteroaryl derivatives of formula (i) as atf4 inhibitors	20180406
AU-2018319016-A1	AHR inhibitors and uses thereof	20170817
CA-3073051-A1	Ahr inhibitors and uses thereof	20170817
CN-111163766-A	AHR inhibitors and uses thereof	20170817

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GHS Hazard Statement:	H302 (98.73%): 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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.053826475
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	153.053826475
Rotatable Bond Count:	0
Topological Polar Surface Area:	84.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7