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

C11H8ClFN2O — CID 102794596

IUPAC3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one
SMILESO=c1ccncn1Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H8ClFN2O/c12-9-2-1-8(5-10(9)13)6-15-7-14-4-3-11(15)16/h1-5,7H,6H2
InChIKeyVLQSVWUAYPBEGD-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.08
Rot. Bonds2

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

3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one (PubChem CID 102794596) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is 3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one
PubChem CID102794596
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC Name3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one
SMILESO=c1ccncn1Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H8ClFN2O/c12-9-2-1-8(5-10(9)13)6-15-7-14-4-3-11(15)16/h1-5,7H,6H2
InChIKeyVLQSVWUAYPBEGD-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

Analyze 3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]pyridin-2-one
CID 102794540
5-amino-6-chloro-3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one
CID 114012811
1-[(4-chloro-3-fluorophenyl)methyl]-1,2,4-triazole
CID 107887752
3-[[4-(dimethylaminosulfanyl)phenyl]methyl]pyrimidin-4-one
CID 166530382
7-bromo-3-[(4-chloro-3-fluorophenyl)methyl]quinazolin-4-one
CID 102794573
3-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidin-4-one
CID 166530336
2-[1-[(4-chloro-3-fluorophenyl)methyl]imidazol-2-yl]ethanamine
CID 107886659
3-[(6-oxopyrimidin-1-yl)methyl]benzamide
CID 113257340
N-iodo-N-methyl-4-[(6-oxopyrimidin-1-yl)methyl]benzamide
CID 163992406
3-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidin-4-one
CID 63768858
3-[[2-(aminomethyl)-4-fluorophenyl]methyl]pyrimidin-4-one
CID 63769343
3-[[2-(propylamino)-4-pyridinyl]methyl]pyrimidin-4-one
CID 55234918

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one?
The IUPAC name of 3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one (CID 102794596) is 3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one?
The canonical SMILES for 3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one is O=c1ccncn1Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one?
The InChIKey is VLQSVWUAYPBEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c12-9-2-1-8(5-10(9)13)6-15-7-14-4-3-11(15)16/h1-5,7H,6H2.
What are the key properties of 3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one?
3-[(4-chloro-3-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 3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one is sourced from PubChem (CID 102794596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).