(4-chlorophenyl)-(2-fluorophenyl)-pyrimidin-5-ylmethanol

C17H12ClFN2O — CID 15801114

IUPAC(4-chlorophenyl)-(2-fluorophenyl)-pyrimidin-5-ylmethanol
SMILESOC(c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1F
InChIInChI=1S/C17H12ClFN2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H
InChIKeyHRFUFIMTPKTRSV-UHFFFAOYSA-N
MW314.75 g/mol
LogP3.55
Rot. Bonds3

About (4-chlorophenyl)-(2-fluorophenyl)-pyrimidin-5-ylmethanol

(4-chlorophenyl)-(2-fluorophenyl)-pyrimidin-5-ylmethanol (PubChem CID 15801114) has the molecular formula C17H12ClFN2O and a molecular weight of 314.75 g/mol. Its IUPAC name is (4-chlorophenyl)-(2-fluorophenyl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(2-fluorophenyl)-pyrimidin-5-ylmethanol
PubChem CID15801114
Molecular FormulaC17H12ClFN2O
Molecular Weight314.75 g/mol
Exact Mass314.06
IUPAC Name(4-chlorophenyl)-(2-fluorophenyl)-pyrimidin-5-ylmethanol
SMILESOC(c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1F
InChIInChI=1S/C17H12ClFN2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H
InChIKeyHRFUFIMTPKTRSV-UHFFFAOYSA-N
XLogP3.55
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-chlorophenyl)-(2-fluorophenyl)-pyrimidin-5-ylmethanol 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 (4-chlorophenyl)-(2-fluorophenyl)-pyrimidin-5-ylmethanol?
The IUPAC name of (4-chlorophenyl)-(2-fluorophenyl)-pyrimidin-5-ylmethanol (CID 15801114) is (4-chlorophenyl)-(2-fluorophenyl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for (4-chlorophenyl)-(2-fluorophenyl)-pyrimidin-5-ylmethanol?
The canonical SMILES for (4-chlorophenyl)-(2-fluorophenyl)-pyrimidin-5-ylmethanol is OC(c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1F.
What is the InChIKey of (4-chlorophenyl)-(2-fluorophenyl)-pyrimidin-5-ylmethanol?
The InChIKey is HRFUFIMTPKTRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H.
What are the key properties of (4-chlorophenyl)-(2-fluorophenyl)-pyrimidin-5-ylmethanol?
(4-chlorophenyl)-(2-fluorophenyl)-pyrimidin-5-ylmethanol has a molecular weight of 314.75 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2-fluorophenyl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 15801114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).