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85979-50-6 molecular structure
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4-(3-fluorophenyl)-2-methylpyrimidine

ChemBase ID: 797369
Molecular Formular: C11H9FN2
Molecular Mass: 188.2009632
Monoisotopic Mass: 188.07497652
SMILES and InChIs

SMILES:
c1c(nc(nc1)C)c1cc(ccc1)F
Canonical SMILES:
Fc1cccc(c1)c1ccnc(n1)C
InChI:
InChI=1S/C11H9FN2/c1-8-13-6-5-11(14-8)9-3-2-4-10(12)7-9/h2-7H,1H3
InChIKey:
JPFCNAIVBQDQBI-UHFFFAOYSA-N

Cite this record

CBID:797369 http://www.chembase.cn/molecule-797369.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(3-fluorophenyl)-2-methylpyrimidine
IUPAC Traditional name
4-(3-fluorophenyl)-2-methylpyrimidine
Synonyms
4-(3-Fluorophenyl)-2-MethylpyriMidine
CAS Number
85979-50-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O7096 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O7096 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) 2.744338  LogD (pH = 7.4) 2.745743 
Log P 2.745761  Molar Refractivity 52.3273 cm3
Polarizability 20.904669 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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