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245056-66-0 molecular structure
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N-(4-chloropyridin-2-yl)acetamide

ChemBase ID: 287374
Molecular Formular: C7H7ClN2O
Molecular Mass: 170.59628
Monoisotopic Mass: 170.02469053
SMILES and InChIs

SMILES:
CC(=O)Nc1nccc(Cl)c1
Canonical SMILES:
CC(=O)Nc1cc(Cl)ccn1
InChI:
InChI=1S/C7H7ClN2O/c1-5(11)10-7-4-6(8)2-3-9-7/h2-4H,1H3,(H,9,10,11)
InChIKey:
WIPAEYIAUBBKRC-UHFFFAOYSA-N

Cite this record

CBID:287374 http://www.chembase.cn/molecule-287374.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-chloropyridin-2-yl)acetamide
IUPAC Traditional name
N-(4-chloropyridin-2-yl)acetamide
Synonyms
N-(4-Chloropyridin-2-yl)acetamide
CAS Number
245056-66-0
MDL Number
MFCD03394624
PubChem SID
180672905
PubChem CID
22832129

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD141334 Please log in.
Data Source Data ID
PubChem 22832129 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.069134  H Acceptors
H Donor LogD (pH = 5.5) 1.1904758 
LogD (pH = 7.4) 1.1917605  Log P 1.1917859 
Molar Refractivity 43.8824 cm3 Polarizability 16.234306 Å3
Polar Surface Area 41.99 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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