6-chloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one

C11H8ClFN2O — CID 114582406

IUPAC6-chloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1Cc1ccccc1F
InChIInChI=1S/C11H8ClFN2O/c12-10-5-11(16)15(7-14-10)6-8-3-1-2-4-9(8)13/h1-5,7H,6H2
InChIKeyAYTHFYSYOMWFIG-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.08
Rot. Bonds2

About 6-chloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one

6-chloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one (PubChem CID 114582406) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is 6-chloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
PubChem CID114582406
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC Name6-chloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1Cc1ccccc1F
InChIInChI=1S/C11H8ClFN2O/c12-10-5-11(16)15(7-14-10)6-8-3-1-2-4-9(8)13/h1-5,7H,6H2
InChIKeyAYTHFYSYOMWFIG-UHFFFAOYSA-N
XLogP2.08
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-[(2-methylphenyl)methyl]pyrimidin-4-one
CID 114582051
5,6-dichloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
CID 114583259
6-chloro-3-(quinolin-8-ylmethyl)pyrimidin-4-one
CID 114582096
6-chloro-3-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 114585464
6-chloro-3-[(2-methyl-3-nitrophenyl)methyl]pyrimidin-4-one
CID 114582430
3-chloro-1-[(2-fluorophenyl)methyl]pyrazin-2-one
CID 114561555
5-[(4-chloro-6-oxopyrimidin-1-yl)methyl]-2-fluorobenzonitrile
CID 107885724
1-[(2-fluorophenyl)methyl]pyridin-2-one
CID 664770
6-chloro-3-[(5-chlorothiophen-2-yl)methyl]pyrimidin-4-one
CID 114582090
4-chloro-3-[(2-fluorophenyl)methyl]imidazo[4,5-c]pyridine
CID 14199155
6-chloro-3-[(3,5-dimethylphenyl)methyl]pyrimidin-4-one
CID 114582049
3-[(2-fluorophenyl)methyl]-6,8-diiodoquinazolin-4-one
CID 3497178

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one (CID 114582406) is 6-chloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one is O=c1cc(Cl)ncn1Cc1ccccc1F.
What is the InChIKey of 6-chloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one?
The InChIKey is AYTHFYSYOMWFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c12-10-5-11(16)15(7-14-10)6-8-3-1-2-4-9(8)13/h1-5,7H,6H2.
What are the key properties of 6-chloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one?
6-chloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one has a molecular weight of 238.65 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one is sourced from PubChem (CID 114582406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).