1-bromo-9H-pyrido[3,4-b]indole

1-bromo-9H-pyrido[3,4-b]indole

CAS: 159898-15-4

Formula: C11H7BrN2

SMILES: BrC1=NC=CC2=C1NC1=C2C=CC=C1

IUPAC: 1-bromo-9H-pyrido[3,4-b]indole

InChI: InChI=1S/C11H7BrN2/c12-11-10-8(5-6-13-11)7-3-1-2-4-9(7)14-10/h1-6,14H

Composition: C (53.47%), H (2.86%), Br (32.34%), N (11.34%)

Molar Mass: 247.095

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	245.979261
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	BFBBBZFKYUWJSV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.78
Topological Polar Surface Area	28.68
Polarizability	24.85
Ring Count	3
Rotatable Bond Count	0

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