2-Amino-5-bromo-6-methyl-3-nitropyridine - CAS 68957-50-6

Catalog:	BB033661
Product Name:	2-Amino-5-bromo-6-methyl-3-nitropyridine
CAS:	68957-50-6
Synonyms:	5-bromo-6-methyl-3-nitro-2-pyridinamine; 5-bromo-6-methyl-3-nitropyridin-2-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	5-bromo-6-methyl-3-nitropyridin-2-amine
Description:	2-Amino-5-bromo-6-methyl-3-nitropyridine (CAS# 68957-50-6 ) is a useful research chemical.
Molecular Weight:	232.03
Molecular Formula:	C6H6BrN3O2
Canonical SMILES:	CC1=C(C=C(C(=N1)N)[N+](=O)[O-])Br
InChI:	InChI=1S/C6H6BrN3O2/c1-3-4(7)2-5(10(11)12)6(8)9-3/h2H,1H3,(H2,8,9)
InChI Key:	CRELZBHEKSIUDR-UHFFFAOYSA-N
Boiling Point:	316 °C at 760 mmHg
Density:	1.795 g/cm³
LogP:	2.74730

Publication Number	Title	Priority Date
WO-2019234160-A1	Pesticidally active heterocyclic derivatives with sulfur containing substituents	20180606
TW-202000027-A	Pesticidally active heterocyclic derivatives with sulfur containing substituents	20180531
WO-2019229089-A1	Pesticidally active heterocyclic derivatives with sulfur containing substituents	20180531
AU-2017280334-A1	Phthalazine derivatives as inhibitors of PARP1, PARP2 and/or tubulin useful for the treatment of cancer	20160624
EP-3475272-A1	Phthalazine derivatives as inhibitors of parp1, parp2 and/or tubulin useful for the treatment of cancer	20160624

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Complexity:	184
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.96434
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	230.96434
Rotatable Bond Count:	0
Topological Polar Surface Area:	84.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2