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1356110-57-0 molecular structure
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[5-(2-chlorophenyl)pyridin-3-yl]methanamine

ChemBase ID: 797088
Molecular Formular: C12H11ClN2
Molecular Mass: 218.68214
Monoisotopic Mass: 218.06107604
SMILES and InChIs

SMILES:
C(N)c1cncc(c1)c1c(cccc1)Cl
Canonical SMILES:
NCc1cncc(c1)c1ccccc1Cl
InChI:
InChI=1S/C12H11ClN2/c13-12-4-2-1-3-11(12)10-5-9(6-14)7-15-8-10/h1-5,7-8H,6,14H2
InChIKey:
BMWZMIYVCCCQQD-UHFFFAOYSA-N

Cite this record

CBID:797088 http://www.chembase.cn/molecule-797088.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[5-(2-chlorophenyl)pyridin-3-yl]methanamine
IUPAC Traditional name
[5-(2-chlorophenyl)pyridin-3-yl]methanamine
Synonyms
(5-(2-Chlorophenyl)pyridin-3-yl)MethanaMine
CAS Number
1356110-57-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O5727 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O5727 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.7985289  LogD (pH = 7.4) 0.43706417 
Log P 2.1326118  Molar Refractivity 62.3155 cm3
Polarizability 25.65319 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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