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1060802-58-5 molecular structure
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4-chloro-6-formylpyridine-3-carbonitrile

ChemBase ID: 815010
Molecular Formular: C7H3ClN2O
Molecular Mass: 166.56452
Monoisotopic Mass: 165.99339041
SMILES and InChIs

SMILES:
c1(c(cnc(c1)C=O)C#N)Cl
Canonical SMILES:
O=Cc1ncc(c(c1)Cl)C#N
InChI:
InChI=1S/C7H3ClN2O/c8-7-1-6(4-11)10-3-5(7)2-9/h1,3-4H
InChIKey:
GFJXZSFOAKDRDB-UHFFFAOYSA-N

Cite this record

CBID:815010 http://www.chembase.cn/molecule-815010.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-6-formylpyridine-3-carbonitrile
IUPAC Traditional name
4-chloro-6-formylpyridine-3-carbonitrile
Synonyms
4-chloro-6-formylnicotinonitrile
CAS Number
1060802-58-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37258 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37258 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) 1.6027596  LogD (pH = 7.4) 1.6027597 
Log P 1.6027597  Molar Refractivity 40.6263 cm3
Polarizability 15.125204 Å3 Polar Surface Area 53.75 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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