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315180-15-5 molecular structure
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5-(chloromethyl)-2-fluoropyridine

ChemBase ID: 802134
Molecular Formular: C6H5ClFN
Molecular Mass: 145.5620032
Monoisotopic Mass: 145.00945507
SMILES and InChIs

SMILES:
n1c(ccc(c1)CCl)F
Canonical SMILES:
ClCc1ccc(nc1)F
InChI:
InChI=1S/C6H5ClFN/c7-3-5-1-2-6(8)9-4-5/h1-2,4H,3H2
InChIKey:
QRXZNFSVRLDKPE-UHFFFAOYSA-N

Cite this record

CBID:802134 http://www.chembase.cn/molecule-802134.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(chloromethyl)-2-fluoropyridine
IUPAC Traditional name
5-(chloromethyl)-2-fluoropyridine
Synonyms
5-(CHLOROMETHYL)-2-FLUOROPYRIDINE
CAS Number
315180-15-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O18530 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O18530 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) 1.879448  LogD (pH = 7.4) 1.879448 
Log P 1.879448  Molar Refractivity 34.9991 cm3
Polarizability 12.837321 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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