6-(4-chloro-2-fluorophenyl)-5-methyl-1H-pyrimidin-2-one

C11H8ClFN2O — CID 106520012

IUPAC6-(4-chloro-2-fluorophenyl)-5-methyl-1H-pyrimidin-2-one
SMILESCc1cnc(=O)[nH]c1-c1ccc(Cl)cc1F
InChIInChI=1S/C11H8ClFN2O/c1-6-5-14-11(16)15-10(6)8-3-2-7(12)4-9(8)13/h2-5H,1H3,(H,14,15,16)
InChIKeyZAWSNTIBIGVWPH-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.54
Rot. Bonds1

About 6-(4-chloro-2-fluorophenyl)-5-methyl-1H-pyrimidin-2-one

6-(4-chloro-2-fluorophenyl)-5-methyl-1H-pyrimidin-2-one (PubChem CID 106520012) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is 6-(4-chloro-2-fluorophenyl)-5-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(4-chloro-2-fluorophenyl)-5-methyl-1H-pyrimidin-2-one
PubChem CID106520012
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC Name6-(4-chloro-2-fluorophenyl)-5-methyl-1H-pyrimidin-2-one
SMILESCc1cnc(=O)[nH]c1-c1ccc(Cl)cc1F
InChIInChI=1S/C11H8ClFN2O/c1-6-5-14-11(16)15-10(6)8-3-2-7(12)4-9(8)13/h2-5H,1H3,(H,14,15,16)
InChIKeyZAWSNTIBIGVWPH-UHFFFAOYSA-N
XLogP2.54
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-fluorophenyl)-5-methyl-1H-pyrimidin-2-one?
The IUPAC name of 6-(4-chloro-2-fluorophenyl)-5-methyl-1H-pyrimidin-2-one (CID 106520012) is 6-(4-chloro-2-fluorophenyl)-5-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(4-chloro-2-fluorophenyl)-5-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-(4-chloro-2-fluorophenyl)-5-methyl-1H-pyrimidin-2-one is Cc1cnc(=O)[nH]c1-c1ccc(Cl)cc1F.
What is the InChIKey of 6-(4-chloro-2-fluorophenyl)-5-methyl-1H-pyrimidin-2-one?
The InChIKey is ZAWSNTIBIGVWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c1-6-5-14-11(16)15-10(6)8-3-2-7(12)4-9(8)13/h2-5H,1H3,(H,14,15,16).
What are the key properties of 6-(4-chloro-2-fluorophenyl)-5-methyl-1H-pyrimidin-2-one?
6-(4-chloro-2-fluorophenyl)-5-methyl-1H-pyrimidin-2-one has a molecular weight of 238.65 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-fluorophenyl)-5-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 106520012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).