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933689-86-2 molecular structure
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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 and InChIs

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

Cite this record

CBID:308772 http://www.chembase.cn/molecule-308772.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
933689-86-2
MDL Number
MFCD15146530

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.9901102  LogD (pH = 7.4) -3.0327394 
Log P -2.99014  Molar Refractivity 42.8589 cm3
Polarizability 15.791432 Å3 Polar Surface Area 78.01 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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