5-bromo-3-[(2-chloro-5-fluorophenyl)methyl]pyrimidin-4-one

C11H7BrClFN2O — CID 102604929

IUPAC5-bromo-3-[(2-chloro-5-fluorophenyl)methyl]pyrimidin-4-one
SMILESO=c1c(Br)cncn1Cc1cc(F)ccc1Cl
InChIInChI=1S/C11H7BrClFN2O/c12-9-4-15-6-16(11(9)17)5-7-3-8(14)1-2-10(7)13/h1-4,6H,5H2
InChIKeyOYLDZLAEMHFLQL-UHFFFAOYSA-N
MW317.55 g/mol
LogP2.85
Rot. Bonds2

About 5-bromo-3-[(2-chloro-5-fluorophenyl)methyl]pyrimidin-4-one

5-bromo-3-[(2-chloro-5-fluorophenyl)methyl]pyrimidin-4-one (PubChem CID 102604929) has the molecular formula C11H7BrClFN2O and a molecular weight of 317.55 g/mol. Its IUPAC name is 5-bromo-3-[(2-chloro-5-fluorophenyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[(2-chloro-5-fluorophenyl)methyl]pyrimidin-4-one
PubChem CID102604929
Molecular FormulaC11H7BrClFN2O
Molecular Weight317.55 g/mol
Exact Mass315.94
IUPAC Name5-bromo-3-[(2-chloro-5-fluorophenyl)methyl]pyrimidin-4-one
SMILESO=c1c(Br)cncn1Cc1cc(F)ccc1Cl
InChIInChI=1S/C11H7BrClFN2O/c12-9-4-15-6-16(11(9)17)5-7-3-8(14)1-2-10(7)13/h1-4,6H,5H2
InChIKeyOYLDZLAEMHFLQL-UHFFFAOYSA-N
XLogP2.85
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.55
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(2-chloro-5-fluorophenyl)methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[(2-chloro-5-fluorophenyl)methyl]pyrimidin-4-one (CID 102604929) is 5-bromo-3-[(2-chloro-5-fluorophenyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[(2-chloro-5-fluorophenyl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[(2-chloro-5-fluorophenyl)methyl]pyrimidin-4-one is O=c1c(Br)cncn1Cc1cc(F)ccc1Cl.
What is the InChIKey of 5-bromo-3-[(2-chloro-5-fluorophenyl)methyl]pyrimidin-4-one?
The InChIKey is OYLDZLAEMHFLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFN2O/c12-9-4-15-6-16(11(9)17)5-7-3-8(14)1-2-10(7)13/h1-4,6H,5H2.
What are the key properties of 5-bromo-3-[(2-chloro-5-fluorophenyl)methyl]pyrimidin-4-one?
5-bromo-3-[(2-chloro-5-fluorophenyl)methyl]pyrimidin-4-one has a molecular weight of 317.55 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(2-chloro-5-fluorophenyl)methyl]pyrimidin-4-one is sourced from PubChem (CID 102604929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).