2-Amino-4-nitropyridine - CAS 4487-50-7

Catalog:	BB025718
Product Name:	2-Amino-4-nitropyridine
CAS:	4487-50-7
Synonyms:	4-nitro-2-pyridinamine; 4-nitropyridin-2-amine

Technical Data

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Computed Properties

IUPAC Name:	4-nitropyridin-2-amine
Description:	2-Amino-4-nitropyridine (CAS# 4487-50-7) is used to synthesize tetrahydronaphthalene Raf inhibitors.
Molecular Weight:	139.11
Molecular Formula:	C5H5N3O2
Canonical SMILES:	C1=CN=C(C=C1[N+](=O)[O-])N
InChI:	InChI=1S/C5H5N3O2/c6-5-3-4(8(9)10)1-2-7-5/h1-3H,(H2,6,7)
InChI Key:	DBDHHHBAZZYVJG-UHFFFAOYSA-N
Boiling Point:	339 °C at 760 mmHg
Density:	1.437 g/cm³
Appearance:	Solid
MDL:	MFCD04114148
LogP:	1.67640

Publication Number	Title	Priority Date
JP-2021102593-A	A new compound that images tau	20191224
CN-107556311-A	A kind of lenalidomide analog	20171031
CN-107722006-A	A kind of thalidomide analogs	20171031
AU-2018276190-A1	5,6-fused-bicyclic compounds and compositions for the treatment of parasitic diseases	20170531
AU-2018276190-B2	5,6-fused-bicyclic compounds and compositions for the treatment of parasitic diseases	20170531

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GHS Hazard Statement:	H302 (99.03%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, 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:	0.3