[2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]methanol

C11H8ClFN2O — CID 63086692

IUPAC[2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]methanol
SMILESOCc1cnc(-c2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C11H8ClFN2O/c12-9-3-8(1-2-10(9)13)11-14-4-7(6-16)5-15-11/h1-5,16H,6H2
InChIKeyDQFCSNDVXCNAPF-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.43
Rot. Bonds2

About [2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]methanol

[2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]methanol (PubChem CID 63086692) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is [2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]methanol
PubChem CID63086692
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC Name[2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]methanol
SMILESOCc1cnc(-c2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C11H8ClFN2O/c12-9-3-8(1-2-10(9)13)11-14-4-7(6-16)5-15-11/h1-5,16H,6H2
InChIKeyDQFCSNDVXCNAPF-UHFFFAOYSA-N
XLogP2.43
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]methanol 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-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]methanol?
The IUPAC name of [2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]methanol (CID 63086692) is [2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]methanol?
The canonical SMILES for [2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]methanol is OCc1cnc(-c2ccc(F)c(Cl)c2)nc1.
What is the InChIKey of [2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]methanol?
The InChIKey is DQFCSNDVXCNAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c12-9-3-8(1-2-10(9)13)11-14-4-7(6-16)5-15-11/h1-5,16H,6H2.
What are the key properties of [2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]methanol?
[2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]methanol has a molecular weight of 238.65 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 63086692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).