5-(2-fluoro-6-methoxyphenyl)pyrimidine

C11H9FN2O — CID 56715631

IUPAC5-(2-fluoro-6-methoxyphenyl)pyrimidine
SMILESCOc1cccc(F)c1-c1cncnc1
InChIInChI=1S/C11H9FN2O/c1-15-10-4-2-3-9(12)11(10)8-5-13-7-14-6-8/h2-7H,1H3
InChIKeyCLFSTDGPXCGJEF-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.29
Rot. Bonds2

About 5-(2-fluoro-6-methoxyphenyl)pyrimidine

5-(2-fluoro-6-methoxyphenyl)pyrimidine (PubChem CID 56715631) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 5-(2-fluoro-6-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name5-(2-fluoro-6-methoxyphenyl)pyrimidine
PubChem CID56715631
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name5-(2-fluoro-6-methoxyphenyl)pyrimidine
SMILESCOc1cccc(F)c1-c1cncnc1
InChIInChI=1S/C11H9FN2O/c1-15-10-4-2-3-9(12)11(10)8-5-13-7-14-6-8/h2-7H,1H3
InChIKeyCLFSTDGPXCGJEF-UHFFFAOYSA-N
XLogP2.29
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(2-fluoro-6-methoxyphenyl)pyrimidine 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 5-(2-fluoro-6-methoxyphenyl)pyrimidine?
The IUPAC name of 5-(2-fluoro-6-methoxyphenyl)pyrimidine (CID 56715631) is 5-(2-fluoro-6-methoxyphenyl)pyrimidine.
What is the SMILES notation for 5-(2-fluoro-6-methoxyphenyl)pyrimidine?
The canonical SMILES for 5-(2-fluoro-6-methoxyphenyl)pyrimidine is COc1cccc(F)c1-c1cncnc1.
What is the InChIKey of 5-(2-fluoro-6-methoxyphenyl)pyrimidine?
The InChIKey is CLFSTDGPXCGJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c1-15-10-4-2-3-9(12)11(10)8-5-13-7-14-6-8/h2-7H,1H3.
What are the key properties of 5-(2-fluoro-6-methoxyphenyl)pyrimidine?
5-(2-fluoro-6-methoxyphenyl)pyrimidine has a molecular weight of 204.20 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methoxyphenyl)pyrimidine is sourced from PubChem (CID 56715631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).