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MFCD08444345 molecular structure
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6-chloro-N-cyclopropylpyridine-3-carboxamide

ChemBase ID: 252480
Molecular Formular: C9H9ClN2O
Molecular Mass: 196.63356
Monoisotopic Mass: 196.0403406
SMILES and InChIs

SMILES:
C(=O)(c1cnc(cc1)Cl)NC1CC1
Canonical SMILES:
Clc1ccc(cn1)C(=O)NC1CC1
InChI:
InChI=1S/C9H9ClN2O/c10-8-4-1-6(5-11-8)9(13)12-7-2-3-7/h1,4-5,7H,2-3H2,(H,12,13)
InChIKey:
PMSOZHXVTCVGRS-UHFFFAOYSA-N

Cite this record

CBID:252480 http://www.chembase.cn/molecule-252480.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloro-N-cyclopropylpyridine-3-carboxamide
IUPAC Traditional name
6-chloro-N-cyclopropylpyridine-3-carboxamide
Synonyms
6-chloro-N-cyclopropylnicotinamide
MDL Number
MFCD08444345
PubChem SID
164308390
PubChem CID
9449822

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-25366 external link Add to cart Please log in.
Data Source Data ID
PubChem 9449822 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.881988  H Acceptors
H Donor LogD (pH = 5.5) 1.1196755 
LogD (pH = 7.4) 1.119676  Log P 1.1196761 
Molar Refractivity 50.9535 cm3 Polarizability 19.039452 Å3
Polar Surface Area 41.99 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.254 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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