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

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

CAS: 860496-20-4

Formula: C8H6N2O2

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

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

InChI: InChI=1S/C8H6N2O2/c11-8(12)5-4-10-6-2-1-3-9-7(5)6/h1-4,10H,(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 VAQUJLYRUQNSEV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.87
Topological Polar Surface Area 65.98
Polarizability 16.98
Ring Count 2
Rotatable Bond Count 1

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