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132118-48-0 molecular structure
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2-chloro-7-fluoro-3-methylquinoline

ChemBase ID: 805151
Molecular Formular: C10H7ClFN
Molecular Mass: 195.6206832
Monoisotopic Mass: 195.02510513
SMILES and InChIs

SMILES:
c1(cc2c(cc1)cc(c(n2)Cl)C)F
Canonical SMILES:
Fc1ccc2c(c1)nc(c(c2)C)Cl
InChI:
InChI=1S/C10H7ClFN/c1-6-4-7-2-3-8(12)5-9(7)13-10(6)11/h2-5H,1H3
InChIKey:
MCJRQLTWWCMBJE-UHFFFAOYSA-N

Cite this record

CBID:805151 http://www.chembase.cn/molecule-805151.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-7-fluoro-3-methylquinoline
IUPAC Traditional name
2-chloro-7-fluoro-3-methylquinoline
Synonyms
2-CHLORO-7-FLUORO-3-METHYLQUINOLINE
CAS Number
132118-48-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O22432 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O22432 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) 3.6112423  LogD (pH = 7.4) 3.6112456 
Log P 3.6112456  Molar Refractivity 51.103 cm3
Polarizability 20.276588 Å3 Polar Surface Area 12.89 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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