5-bromo-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid

5-bromo-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid

CAS: 800401-52-9

Formula: C8H5BrN2O2

SMILES: OC(=O)C1=CC2=NC(Br)=CC=C2N1

IUPAC: 5-bromo-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid

InChI: InChI=1S/C8H5BrN2O2/c9-7-2-1-4-5(11-7)3-6(10-4)8(12)13/h1-3,10H,(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	CZMLLVBNKAZHMK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.21
Topological Polar Surface Area	65.98
Polarizability	19.91
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	800401-52-9		$145.02-$506.92$145.02$168.97$226.98$506.92