Home > Compound List > Compound details
43083-14-3 molecular structure
click picture or here to close

2-chloro-6-phenylpyridine-3-carbonitrile

ChemBase ID: 39668
Molecular Formular: C12H7ClN2
Molecular Mass: 214.65038
Monoisotopic Mass: 214.02977591
SMILES and InChIs

SMILES:
n1c(c(ccc1c1ccccc1)C#N)Cl
Canonical SMILES:
N#Cc1ccc(nc1Cl)c1ccccc1
InChI:
InChI=1S/C12H7ClN2/c13-12-10(8-14)6-7-11(15-12)9-4-2-1-3-5-9/h1-7H
InChIKey:
NROZOMIVAHCNED-UHFFFAOYSA-N

Cite this record

CBID:39668 http://www.chembase.cn/molecule-39668.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-6-phenylpyridine-3-carbonitrile
IUPAC Traditional name
2-chloro-6-phenylpyridine-3-carbonitrile
Synonyms
2-Chloro-6-phenylnicotinonitrile
2-Chloro-6-phenylpyridine-3-carbonitrile
2-Chloro-3-cyano-6-phenylpyridine
CAS Number
43083-14-3
MDL Number
MFCD01316320
PubChem SID
161002975
PubChem CID
339000

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.4689672  LogD (pH = 7.4) 3.4689672 
Log P 3.4689672  Molar Refractivity 60.253 cm3
Polarizability 24.176727 Å3 Polar Surface Area 36.68 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
155 - 159 °C expand Show data source
155-159°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Toxic expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle