3-[(2-bromophenyl)methyl]-2-chloro-5-fluoropyrimidin-4-one

C11H7BrClFN2O — CID 11186192

IUPAC3-[(2-bromophenyl)methyl]-2-chloro-5-fluoropyrimidin-4-one
SMILESO=c1c(F)cnc(Cl)n1Cc1ccccc1Br
InChIInChI=1S/C11H7BrClFN2O/c12-8-4-2-1-3-7(8)6-16-10(17)9(14)5-15-11(16)13/h1-5H,6H2
InChIKeyALKJMGJPUFODLM-UHFFFAOYSA-N
MW317.55 g/mol
LogP2.85
Rot. Bonds2

About 3-[(2-bromophenyl)methyl]-2-chloro-5-fluoropyrimidin-4-one

3-[(2-bromophenyl)methyl]-2-chloro-5-fluoropyrimidin-4-one (PubChem CID 11186192) has the molecular formula C11H7BrClFN2O and a molecular weight of 317.55 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methyl]-2-chloro-5-fluoropyrimidin-4-one.

Molecular Properties

Compound Name3-[(2-bromophenyl)methyl]-2-chloro-5-fluoropyrimidin-4-one
PubChem CID11186192
Molecular FormulaC11H7BrClFN2O
Molecular Weight317.55 g/mol
Exact Mass315.94
IUPAC Name3-[(2-bromophenyl)methyl]-2-chloro-5-fluoropyrimidin-4-one
SMILESO=c1c(F)cnc(Cl)n1Cc1ccccc1Br
InChIInChI=1S/C11H7BrClFN2O/c12-8-4-2-1-3-7(8)6-16-10(17)9(14)5-15-11(16)13/h1-5H,6H2
InChIKeyALKJMGJPUFODLM-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 3-[(2-bromophenyl)methyl]-2-chloro-5-fluoropyrimidin-4-one?
The IUPAC name of 3-[(2-bromophenyl)methyl]-2-chloro-5-fluoropyrimidin-4-one (CID 11186192) is 3-[(2-bromophenyl)methyl]-2-chloro-5-fluoropyrimidin-4-one.
What is the SMILES notation for 3-[(2-bromophenyl)methyl]-2-chloro-5-fluoropyrimidin-4-one?
The canonical SMILES for 3-[(2-bromophenyl)methyl]-2-chloro-5-fluoropyrimidin-4-one is O=c1c(F)cnc(Cl)n1Cc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)methyl]-2-chloro-5-fluoropyrimidin-4-one?
The InChIKey is ALKJMGJPUFODLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFN2O/c12-8-4-2-1-3-7(8)6-16-10(17)9(14)5-15-11(16)13/h1-5H,6H2.
What are the key properties of 3-[(2-bromophenyl)methyl]-2-chloro-5-fluoropyrimidin-4-one?
3-[(2-bromophenyl)methyl]-2-chloro-5-fluoropyrimidin-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 3-[(2-bromophenyl)methyl]-2-chloro-5-fluoropyrimidin-4-one is sourced from PubChem (CID 11186192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).