4-(2-bromopyridin-4-yl)butanenitrile

4-(2-bromopyridin-4-yl)butanenitrile

Formula: C9H9BrN2

SMILES: BrC1=NC=CC(CCCC#N)=C1

IUPAC: 4-(2-bromopyridin-4-yl)butanenitrile

InChI: InChI=1S/C9H9BrN2/c10-9-7-8(4-6-12-9)3-1-2-5-11/h4,6-7H,1-3H2

Composition: C (48.03%), H (4.03%), Br (35.50%), N (12.45%)

Molar Mass: 225.089

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	223.994911
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	PEBXRKYTDIBBMY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.86
Topological Polar Surface Area	36.68
Polarizability	19.49
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C9H9BrN2		Quote Only