2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

• ChemBase ID: 308772
• Molecular Formular: C7H9N3O2
• Molecular Mass: 167.16526
• Monoisotopic Mass: 167.06947654
• SMILES: c1(c2c(n[nH]1)CCNC2)C(=O)O
• Canonical SMILES: OC(=O)c1[nH]nc2c1CNCC2
• InChI: InChI=1S/C7H9N3O2/c11-7(12)6-4-3-8-2-1-5(4)9-10-6/h8H,1-3H2,(H,9,10)(H,11,12)
• InChIKey: QOBHHBJTLXNTBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
• IUPAC Traditional name: 2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
• Synonyms: 4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

Database IDs

• CAS Number: 933689-86-2
• MDL Number: MFCD15146530

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.9901102
• LogD (pH = 7.4): -3.0327394
• Log P: -2.99014
• Molar Refractivity: 42.8589 cm^3
• Polarizability: 15.791432 Å^3
• Polar Surface Area: 78.01 Å^2