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MFCD11121320 molecular structure
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N-benzyl-3-chloropyridin-2-amine

ChemBase ID: 270020
Molecular Formular: C12H11ClN2
Molecular Mass: 218.68214
Monoisotopic Mass: 218.06107604
SMILES and InChIs

SMILES:
c1(NCc2ccccc2)ncccc1Cl
Canonical SMILES:
Clc1cccnc1NCc1ccccc1
InChI:
InChI=1S/C12H11ClN2/c13-11-7-4-8-14-12(11)15-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,15)
InChIKey:
MFZQCGYYWRVGRK-UHFFFAOYSA-N

Cite this record

CBID:270020 http://www.chembase.cn/molecule-270020.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-benzyl-3-chloropyridin-2-amine
IUPAC Traditional name
N-benzyl-3-chloropyridin-2-amine
Synonyms
N-benzyl-3-chloropyridin-2-amine
MDL Number
MFCD11121320
PubChem SID
164325930
PubChem CID
29299547

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-68671 external link Add to cart Please log in.
Data Source Data ID
PubChem 29299547 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.698668  H Acceptors
H Donor LogD (pH = 5.5) 3.0635135 
LogD (pH = 7.4) 3.1500943  Log P 3.151327 
Molar Refractivity 63.8258 cm3 Polarizability 23.88449 Å3
Polar Surface Area 24.92 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
3.408 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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