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142266-63-5 molecular structure
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2-chloro-4-methylpyridine-3-carboxylic acid

ChemBase ID: 815657
Molecular Formular: C7H6ClNO2
Molecular Mass: 171.58104
Monoisotopic Mass: 171.00870612
SMILES and InChIs

SMILES:
OC(=O)c1c(ccnc1Cl)C
Canonical SMILES:
OC(=O)c1c(C)ccnc1Cl
InChI:
InChI=1S/C7H6ClNO2/c1-4-2-3-9-6(8)5(4)7(10)11/h2-3H,1H3,(H,10,11)
InChIKey:
RIDHOEHCFUPOCN-UHFFFAOYSA-N

Cite this record

CBID:815657 http://www.chembase.cn/molecule-815657.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-4-methylpyridine-3-carboxylic acid
IUPAC Traditional name
2-chloro-4-methylpyridine-3-carboxylic acid
Synonyms
2-chloro-4-methylnicotinic acid
CAS Number
142266-63-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O38024 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O38024 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.4306302  H Acceptors
H Donor LogD (pH = 5.5) -0.31251326 
LogD (pH = 7.4) -1.645556  Log P 1.7507995 
Molar Refractivity 42.0646 cm3 Polarizability 15.566512 Å3
Polar Surface Area 50.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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