6-chloro-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid

6-chloro-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid

CAS: 1167056-92-9

Formula: C8H5ClN2O2

SMILES: OC(=O)C1=C2C=CNC2=NC(Cl)=C1

IUPAC: 6-chloro-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid

InChI: InChI=1S/C8H5ClN2O2/c9-6-3-5(8(12)13)4-1-2-10-7(4)11-6/h1-3H,(H,10,11)(H,12,13)

Composition: C (48.88%), H (2.56%), Cl (18.03%), N (14.25%), O (16.28%)

Molar Mass: 196.59

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	196.0039551
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	WNHYMQCWBLAACO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.06
Topological Polar Surface Area	65.98
Polarizability	18.31
Ring Count	2
Rotatable Bond Count	1

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