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1019372-83-8 molecular structure
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2-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide

ChemBase ID: 299650
Molecular Formular: C14H13ClN2O
Molecular Mass: 260.71882
Monoisotopic Mass: 260.07164073
SMILES and InChIs

SMILES:
Cc1cccc(c1C)NC(=O)c1ccnc(c1)Cl
Canonical SMILES:
Clc1nccc(c1)C(=O)Nc1cccc(c1C)C
InChI:
InChI=1S/C14H13ClN2O/c1-9-4-3-5-12(10(9)2)17-14(18)11-6-7-16-13(15)8-11/h3-8H,1-2H3,(H,17,18)
InChIKey:
HDIZKCREAUFHOS-UHFFFAOYSA-N

Cite this record

CBID:299650 http://www.chembase.cn/molecule-299650.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide
IUPAC Traditional name
2-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide
Synonyms
2-Chloro-N-(2,3-dimethylphenyl)isonicotinamide
2-Chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide
CAS Number
1019372-83-8
MDL Number
MFCD11522874
PubChem SID
180685181
PubChem CID
28376061

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 28376061 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.16792  H Acceptors
H Donor LogD (pH = 5.5) 3.6985228 
LogD (pH = 7.4) 3.698522  Log P 3.6985228 
Molar Refractivity 75.3831 cm3 Polarizability 27.499659 Å3
Polar Surface Area 41.99 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-62 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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