3-bromo-5H,6H,7H-cyclopenta[b]pyridine

3-bromo-5H,6H,7H-cyclopenta[b]pyridine

CAS: 158331-18-1

Formula: C8H8BrN

SMILES: BrC1=CN=C2CCCC2=C1

IUPAC: 3-bromo-5H,6H,7H-cyclopenta[b]pyridine

InChI: InChI=1S/C8H8BrN/c9-7-4-6-2-1-3-8(6)10-5-7/h4-5H,1-3H2

Composition: C (48.51%), H (4.07%), Br (40.34%), N (7.07%)

Molar Mass: 198.063

Atom Count: 18

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	196.984012
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	AOUSQPREWBGRAO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.98
Topological Polar Surface Area	12.89
Polarizability	16.87
Ring Count	2
Rotatable Bond Count	0

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