2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetonitrile

C13H10FN3 — CID 116895064

IUPAC2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetonitrile
SMILESCc1cc(-c2ccccc2F)nc(CC#N)n1
InChIInChI=1S/C13H10FN3/c1-9-8-12(17-13(16-9)6-7-15)10-4-2-3-5-11(10)14/h2-5,8H,6H2,1H3
InChIKeyDHZYHIQALDXXSH-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.66
Rot. Bonds2

About 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetonitrile

2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetonitrile (PubChem CID 116895064) has the molecular formula C13H10FN3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetonitrile
PubChem CID116895064
Molecular FormulaC13H10FN3
Molecular Weight227.24 g/mol
Exact Mass227.09
IUPAC Name2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetonitrile
SMILESCc1cc(-c2ccccc2F)nc(CC#N)n1
InChIInChI=1S/C13H10FN3/c1-9-8-12(17-13(16-9)6-7-15)10-4-2-3-5-11(10)14/h2-5,8H,6H2,1H3
InChIKeyDHZYHIQALDXXSH-UHFFFAOYSA-N
XLogP2.66
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetonitrile?
The IUPAC name of 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetonitrile (CID 116895064) is 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetonitrile.
What is the SMILES notation for 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetonitrile?
The canonical SMILES for 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetonitrile is Cc1cc(-c2ccccc2F)nc(CC#N)n1.
What is the InChIKey of 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetonitrile?
The InChIKey is DHZYHIQALDXXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3/c1-9-8-12(17-13(16-9)6-7-15)10-4-2-3-5-11(10)14/h2-5,8H,6H2,1H3.
What are the key properties of 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetonitrile?
2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetonitrile has a molecular weight of 227.24 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetonitrile is sourced from PubChem (CID 116895064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).