3-bromo-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyridin-2-one

C13H11BrFNO2 — CID 58217836

IUPAC3-bromo-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyridin-2-one
SMILESO=c1c(Br)cc(CO)cn1Cc1ccc(F)cc1
InChIInChI=1S/C13H11BrFNO2/c14-12-5-10(8-17)7-16(13(12)18)6-9-1-3-11(15)4-2-9/h1-5,7,17H,6,8H2
InChIKeyFZFZERVCPQLNEY-UHFFFAOYSA-N
MW312.14 g/mol
LogP2.29
Rot. Bonds3

About 3-bromo-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyridin-2-one

3-bromo-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyridin-2-one (PubChem CID 58217836) has the molecular formula C13H11BrFNO2 and a molecular weight of 312.14 g/mol. Its IUPAC name is 3-bromo-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyridin-2-one
PubChem CID58217836
Molecular FormulaC13H11BrFNO2
Molecular Weight312.14 g/mol
Exact Mass311.00
IUPAC Name3-bromo-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyridin-2-one
SMILESO=c1c(Br)cc(CO)cn1Cc1ccc(F)cc1
InChIInChI=1S/C13H11BrFNO2/c14-12-5-10(8-17)7-16(13(12)18)6-9-1-3-11(15)4-2-9/h1-5,7,17H,6,8H2
InChIKeyFZFZERVCPQLNEY-UHFFFAOYSA-N
XLogP2.29
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyridin-2-one?
The IUPAC name of 3-bromo-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyridin-2-one (CID 58217836) is 3-bromo-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyridin-2-one?
The canonical SMILES for 3-bromo-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyridin-2-one is O=c1c(Br)cc(CO)cn1Cc1ccc(F)cc1.
What is the InChIKey of 3-bromo-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyridin-2-one?
The InChIKey is FZFZERVCPQLNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2/c14-12-5-10(8-17)7-16(13(12)18)6-9-1-3-11(15)4-2-9/h1-5,7,17H,6,8H2.
What are the key properties of 3-bromo-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyridin-2-one?
3-bromo-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyridin-2-one has a molecular weight of 312.14 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyridin-2-one is sourced from PubChem (CID 58217836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).