3-(6-bromopyridin-2-yl)-2-cyano-N-(1-phenylethyl)prop-2-enamide

3-(6-bromopyridin-2-yl)-2-cyano-N-(1-phenylethyl)prop-2-enamide

CAS: 857064-38-1

Formula: C17H14BrN3O

SMILES: CC(NC(=O)C(=CC1=NC(Br)=CC=C1)C#N)C1=CC=CC=C1

IUPAC: 3-(6-bromopyridin-2-yl)-2-cyano-N-(1-phenylethyl)prop-2-enamide

InChI: InChI=1/C17H14BrN3O/c1-12(13-6-3-2-4-7-13)20-17(22)14(11-19)10-15-8-5-9-16(18)21-15/h2-10,12H,1H3,(H,20,22)

Composition: C (57.32%), H (3.96%), Br (22.43%), N (11.80%), O (4.49%)

Molar Mass: 356.223

Atom Count: 36

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	355.032025
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VFUAJMPDXIRPKO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.72
Topological Polar Surface Area	65.78
Polarizability	33.67
Ring Count	2
Rotatable Bond Count	4

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