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876379-75-8 molecular structure
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6-chloropyrazolo[1,5-a]pyridine-2-carboxylic acid

ChemBase ID: 65061
Molecular Formular: C8H5ClN2O2
Molecular Mass: 196.5905
Monoisotopic Mass: 196.00395509
SMILES and InChIs

SMILES:
c1c(cn2c(c1)cc(n2)C(=O)O)Cl
Canonical SMILES:
Clc1ccc2n(c1)nc(c2)C(=O)O
InChI:
InChI=1S/C8H5ClN2O2/c9-5-1-2-6-3-7(8(12)13)10-11(6)4-5/h1-4H,(H,12,13)
InChIKey:
OCQTYSSQJSCICC-UHFFFAOYSA-N

Cite this record

CBID:65061 http://www.chembase.cn/molecule-65061.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloropyrazolo[1,5-a]pyridine-2-carboxylic acid
IUPAC Traditional name
6-chloropyrazolo[1,5-a]pyridine-2-carboxylic acid
Synonyms
6-Chloropyrazolo[1,5-a]pyridine-2-carboxylic acid
CAS Number
876379-75-8
MDL Number
MFCD11518928
PubChem SID
162030800
PubChem CID
45789838

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
070392 external link Add to cart Please log in.
Data Source Data ID
PubChem 45789838 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.160462  H Acceptors
H Donor LogD (pH = 5.5) -0.164412 
LogD (pH = 7.4) -1.3016075  Log P 2.150661 
Molar Refractivity 57.6669 cm3 Polarizability 18.236061 Å3
Polar Surface Area 54.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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