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5-Amino-3-(trifluoromethyl)pyridine-2-carbonitrile

5-Amino-3-(trifluoromethyl)pyridine-2-carbonitrile - CAS 573762-62-6

Catalog:	BB029674
Product Name:	5-Amino-3-(trifluoromethyl)pyridine-2-carbonitrile
CAS:	573762-62-6
Synonyms:	5-amino-3-(trifluoromethyl)-2-pyridinecarbonitrile; 5-amino-3-(trifluoromethyl)pyridine-2-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	5-amino-3-(trifluoromethyl)pyridine-2-carbonitrile
Description:	5-Amino-3-(trifluoromethyl)pyridine-2-carbonitrile (CAS# 573762-62-6) is a useful research chemical compound.
Molecular Weight:	187.12
Molecular Formula:	C7H4F3N3
Canonical SMILES:	C1=C(C(=NC=C1N)C#N)C(F)(F)F
InChI:	InChI=1S/C7H4F3N3/c8-7(9,10)5-1-4(12)3-13-6(5)2-11/h1,3H,12H2
InChI Key:	WLMSCOVORZUSNW-UHFFFAOYSA-N
LogP:	2.13548

Publication Number	Title	Priority Date
CN-113292535-A	Method for preparing apaluamide intermediate and apaluamide	20210618
CN-112194633-A	Method for synthesizing apalumide and intermediate thereof and intermediate	20201106
CN-212894521-U	Production system for producing apalumide intermediate	20200818
WO-2021207343-A1	Malt1 inhibitors and uses thereof	20200408
WO-2021202936-A1	Pyrazolylpropanamide compounds and uses thereof for treatment of prostate cancer	20200402

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.03573163
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	187.03573163
Rotatable Bond Count:	0
Topological Polar Surface Area:	62.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1