5,6-dichloro-3-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-one

C11H6Cl3FN2O — CID 102858179

IUPAC5,6-dichloro-3-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1Cc1cccc(Cl)c1F
InChIInChI=1S/C11H6Cl3FN2O/c12-7-3-1-2-6(9(7)15)4-17-5-16-10(14)8(13)11(17)18/h1-3,5H,4H2
InChIKeyNXHFNIWTZDHSPS-UHFFFAOYSA-N
MW307.54 g/mol
LogP3.39
Rot. Bonds2

About 5,6-dichloro-3-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-one

5,6-dichloro-3-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-one (PubChem CID 102858179) has the molecular formula C11H6Cl3FN2O and a molecular weight of 307.54 g/mol. Its IUPAC name is 5,6-dichloro-3-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-one
PubChem CID102858179
Molecular FormulaC11H6Cl3FN2O
Molecular Weight307.54 g/mol
Exact Mass305.95
IUPAC Name5,6-dichloro-3-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1Cc1cccc(Cl)c1F
InChIInChI=1S/C11H6Cl3FN2O/c12-7-3-1-2-6(9(7)15)4-17-5-16-10(14)8(13)11(17)18/h1-3,5H,4H2
InChIKeyNXHFNIWTZDHSPS-UHFFFAOYSA-N
XLogP3.39
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.54
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dichloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
CID 114583259
4,5-dichloro-1-[(3-chloro-2-fluorophenyl)methyl]imidazole
CID 167943979
3-[(3-chloro-2-fluorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 102858170
5,6-dichloro-3-[(2-methylphenyl)methyl]pyrimidin-4-one
CID 114582920
6-chloro-3-[(2-chloro-6-fluorophenyl)methyl]-5-iodopyrimidin-4-one
CID 114584062
5,6-dichloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114582912
6-chloro-3-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 114585464
5-amino-3-bromo-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-2-one
CID 102855891
5,6-dichloro-3-prop-2-ynylpyrimidin-4-one
CID 114583014
3-[(2,3-difluorophenyl)methyl]-7-fluoroquinazolin-4-one
CID 24524274
N-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 102856727
4-[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]aniline
CID 102855873

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-one (CID 102858179) is 5,6-dichloro-3-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-one is O=c1c(Cl)c(Cl)ncn1Cc1cccc(Cl)c1F.
What is the InChIKey of 5,6-dichloro-3-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-one?
The InChIKey is NXHFNIWTZDHSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3FN2O/c12-7-3-1-2-6(9(7)15)4-17-5-16-10(14)8(13)11(17)18/h1-3,5H,4H2.
What are the key properties of 5,6-dichloro-3-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-one?
5,6-dichloro-3-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-one has a molecular weight of 307.54 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-one is sourced from PubChem (CID 102858179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).