4-bromo-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid

4-bromo-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid

CAS: 1190319-37-9

Formula: C8H5BrN2O2

SMILES: OC(=O)C1=CNC2=CN=CC(Br)=C12

IUPAC: 4-bromo-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid

InChI: InChI=1S/C8H5BrN2O2/c9-5-2-10-3-6-7(5)4(1-11-6)8(12)13/h1-3,11H,(H,12,13)

Composition: C (39.86%), H (2.09%), Br (33.15%), N (11.62%), O (13.27%)

Molar Mass: 241.044

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	239.95344
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	WAMHBVSIFGETND-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.87
Topological Polar Surface Area	65.98
Polarizability	19.87
Ring Count	2
Rotatable Bond Count	1

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