2-bromo-6-(pyrrolidin-1-yl)benzonitrile

2-bromo-6-(pyrrolidin-1-yl)benzonitrile

CAS: 1365271-35-7

Formula: C11H11BrN2

SMILES: BrC1=C(C#N)C(=CC=C1)N1CCCC1

IUPAC: 2-bromo-6-(pyrrolidin-1-yl)benzonitrile

InChI: InChI=1S/C11H11BrN2/c12-10-4-3-5-11(9(10)8-13)14-6-1-2-7-14/h3-5H,1-2,6-7H2

Composition: C (52.61%), H (4.42%), Br (31.82%), N (11.16%)

Molar Mass: 251.127

Atom Count: 25

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	250.010561
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	VIXWRCUVPHIHME-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.37
Topological Polar Surface Area	27.03
Polarizability	22.7
Ring Count	2
Rotatable Bond Count	1

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