Home > Compound List > Compound details
1210868-68-0 molecular structure
click picture or here to close

5-chloro-3-fluoro-2-methylpyridine

ChemBase ID: 290627
Molecular Formular: C6H5ClFN
Molecular Mass: 145.5620032
Monoisotopic Mass: 145.00945507
SMILES and InChIs

SMILES:
Cc1ncc(Cl)cc1F
Canonical SMILES:
Clc1cnc(c(c1)F)C
InChI:
InChI=1S/C6H5ClFN/c1-4-6(8)2-5(7)3-9-4/h2-3H,1H3
InChIKey:
QMCMUNDFHKSQPX-UHFFFAOYSA-N

Cite this record

CBID:290627 http://www.chembase.cn/molecule-290627.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-3-fluoro-2-methylpyridine
IUPAC Traditional name
5-chloro-3-fluoro-2-methylpyridine
Synonyms
5-Chloro-3-fluoro-2-methylpyridine
CAS Number
1210868-68-0
PubChem SID
180676158
PubChem CID
18727793

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD229851 Please log in.
Data Source Data ID
PubChem 18727793 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6336162  LogD (pH = 7.4) 1.6336893 
Log P 1.6336901  Molar Refractivity 33.5138 cm3
Polarizability 12.831026 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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