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1203499-50-6 molecular structure
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2-chloro-N-methoxy-N,5-dimethylpyridine-3-carboxamide

ChemBase ID: 50577
Molecular Formular: C9H11ClN2O2
Molecular Mass: 214.64884
Monoisotopic Mass: 214.05090528
SMILES and InChIs

SMILES:
c1(cnc(c(c1)C(=O)N(C)OC)Cl)C
Canonical SMILES:
CON(C(=O)c1cc(C)cnc1Cl)C
InChI:
InChI=1S/C9H11ClN2O2/c1-6-4-7(8(10)11-5-6)9(13)12(2)14-3/h4-5H,1-3H3
InChIKey:
HYCMGOXJFZMPHD-UHFFFAOYSA-N

Cite this record

CBID:50577 http://www.chembase.cn/molecule-50577.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-methoxy-N,5-dimethylpyridine-3-carboxamide
IUPAC Traditional name
2-chloro-N-methoxy-N,5-dimethylpyridine-3-carboxamide
Synonyms
2-Chloro-N-methoxy-N,5-dimethylnicotinamide
2-Chloro-N-methoxy-N,5-dimethylnicotinamide
CAS Number
1203499-50-6
MDL Number
MFCD13563059
PubChem SID
162055340
PubChem CID
46318120

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5423093  LogD (pH = 7.4) 1.5423119 
Log P 1.542312  Molar Refractivity 55.0304 cm3
Polarizability 20.426174 Å3 Polar Surface Area 42.43 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
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C9H11ClN2O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000765 external link
Other Notes
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Legal Information
Product of Adesis

REFERENCES

REFERENCES

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PATENTS

PATENTS

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