6-Amino-5-bromonicotinonitrile - CAS 477871-32-2

Catalog:	BB026396
Product Name:	6-Amino-5-bromonicotinonitrile
CAS:	477871-32-2
Synonyms:	6-amino-5-bromo-3-pyridinecarbonitrile; 6-amino-5-bromopyridine-3-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-amino-5-bromopyridine-3-carbonitrile
Description:	6-Amino-5-bromonicotinonitrile (CAS# 477871-32-2) is a useful research chemical.
Molecular Weight:	198.02
Molecular Formula:	C6H4BrN3
Canonical SMILES:	C1=C(C=NC(=C1Br)N)C#N
InChI:	InChI=1S/C6H4BrN3/c7-5-1-4(2-8)3-10-6(5)9/h1,3H,(H2,9,10)
InChI Key:	CKUQTHSGTPGGFK-UHFFFAOYSA-N
Boiling Point:	294.4 °C at 760 mmHg
Density:	1.8 g/cm³
Solubility:	27.8 [ug/mL] (The mean of the results at pH 7.4)
MDL:	MFCD02102412
LogP:	1.87918

Publication Number	Title	Priority Date
EP-3613738-A1	4-substituted pyrrolo[2,3-b]pyridine as erbb modulators useful for treating cancer	20180823
WO-2020039060-A1	4-substituted pyrrolo[2,3-b]pyridine as erbb modulators useful for treating cancer	20180823
AU-2019324528-A1	4-substituted pyrrolo(2,3-b)pyridine as ErbB modulators useful for treating cancer	20180823
CA-3105010-A1	4-substituted pyrrolo[2,3-b]pyridine as erbb modulators useful for treating cancer	20180823
CN-112585138-A	4-substituted pyrrolo [2,3-b ] pyridines as ErbB modulators useful in the treatment of cancer	20180823

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Related Functional Groups

Nitrogen Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile

GHS Hazard Statement:	H302 (100%): 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:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.95886
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	196.95886
Rotatable Bond Count:	0
Topological Polar Surface Area:	62.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9