3-Amino-2-nitropyridine - CAS 13269-19-7

Catalog:	BB007619
Product Name:	3-Amino-2-nitropyridine
CAS:	13269-19-7
Synonyms:	2-nitro-3-pyridinamine; 2-nitropyridin-3-amine

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Computed Properties

IUPAC Name:	2-nitropyridin-3-amine
Description:	3-Amino-2-nitropyridine (CAS# 13269-19-7) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	139.11
Molecular Formula:	C5H5N3O2
Canonical SMILES:	C1=CC(=C(N=C1)[N+](=O)[O-])N
InChI:	InChI=1S/C5H5N3O2/c6-4-2-1-3-7-5(4)8(9)10/h1-3H,6H2
InChI Key:	GZBKVUGZEAJYHH-UHFFFAOYSA-N
Boiling Point:	382.3 ℃ at 760 mmHg
Density:	1.437 g/cm³
Appearance:	Light yellow cryst
Storage:	Keep in dark place, Inert atmosphere, Room temperature
MDL:	MFCD00044102
LogP:	1.67640

Publication Number	Title	Priority Date
CN-112047938-A	2,4, 6-trisubstituted pyrimidine compounds as ATR kinase inhibitors	20190606
WO-2020244613-A1	2, 4, 6-tri-substituted pyrimidine compound as atr kinase inhibitor	20190606
US-2020339559-A1	Heterocyclic compounds and their use for treatment of helminthic infections and diseases	20190426
WO-2020219871-A1	Heterocyclic compounds and their use for treatment of helminthic infections and diseases	20190426
US-2019336609-A1	C40-, C28-, and C-32-Linked Rapamycin Analogs as mTOR Inhibitors	20180501

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GHS Hazard Statement:	H302 (83.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	139.038176411
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	139.038176411
Rotatable Bond Count:	0
Topological Polar Surface Area:	84.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9