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

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

CAS: 1190312-60-7

Formula: C9H8N2O2

SMILES: CC1=C2NC=C(C(O)=O)C2=NC=C1

IUPAC: 7-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

InChI: InChI=1S/C9H8N2O2/c1-5-2-3-10-8-6(9(12)13)4-11-7(5)8/h2-4,11H,1H3,(H,12,13)

Composition: C (61.36%), H (4.58%), N (15.90%), O (18.16%)

Molar Mass: 176.175

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 176.058577506
Formal Charge 0
FSP3 0.11
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey XAIZTQWBIGLYBX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.91
Topological Polar Surface Area 65.98
Polarizability 18.74
Ring Count 2
Rotatable Bond Count 1

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