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

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

CAS: 1015610-55-5

Formula: C8H5ClN2O2

SMILES: OC(=O)C1=C2C=CNC2=NC=C1Cl

IUPAC: 5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid

InChI: InChI=1S/C8H5ClN2O2/c9-5-3-11-7-4(1-2-10-7)6(5)8(12)13/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	MLXTUHYRDAIKGO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47
Topological Polar Surface Area	65.98
Polarizability	18.27
Ring Count	2
Rotatable Bond Count	1

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