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

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

CAS: 479553-01-0

Formula: C8H6N2O2

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

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

InChI: InChI=1S/C8H6N2O2/c11-8(12)6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10)(H,11,12)

Composition: C (59.26%), H (3.73%), N (17.28%), O (19.73%)

Molar Mass: 162.148

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	162.042927441
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	HPPPHDPVSYYWCH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.2
Topological Polar Surface Area	65.98
Polarizability	16.32
Ring Count	2
Rotatable Bond Count	1

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