1-[(1R)-1-(4-bromo-3-fluorophenyl)ethyl]-4-hydroxy-6-methylpyridin-2-one

C14H13BrFNO2 — CID 170763414

IUPAC1-[(1R)-1-(4-bromo-3-fluorophenyl)ethyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1[C@H](C)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H13BrFNO2/c1-8-5-11(18)7-14(19)17(8)9(2)10-3-4-12(15)13(16)6-10/h3-7,9,18H,1-2H3/t9-/m1/s1
InChIKeyWAKDQQVAZHGTQS-SECBINFHSA-N
MW326.17 g/mol
LogP3.37
Rot. Bonds2

About 1-[(1R)-1-(4-bromo-3-fluorophenyl)ethyl]-4-hydroxy-6-methylpyridin-2-one

1-[(1R)-1-(4-bromo-3-fluorophenyl)ethyl]-4-hydroxy-6-methylpyridin-2-one (PubChem CID 170763414) has the molecular formula C14H13BrFNO2 and a molecular weight of 326.17 g/mol. Its IUPAC name is 1-[(1R)-1-(4-bromo-3-fluorophenyl)ethyl]-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(1R)-1-(4-bromo-3-fluorophenyl)ethyl]-4-hydroxy-6-methylpyridin-2-one
PubChem CID170763414
Molecular FormulaC14H13BrFNO2
Molecular Weight326.17 g/mol
Exact Mass325.01
IUPAC Name1-[(1R)-1-(4-bromo-3-fluorophenyl)ethyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1[C@H](C)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H13BrFNO2/c1-8-5-11(18)7-14(19)17(8)9(2)10-3-4-12(15)13(16)6-10/h3-7,9,18H,1-2H3/t9-/m1/s1
InChIKeyWAKDQQVAZHGTQS-SECBINFHSA-N
XLogP3.37
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-1-(4-bromo-3-fluorophenyl)ethyl]-4-hydroxy-6-methylpyridin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-bromo-3-fluorophenyl)ethyl]-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-[(1R)-1-(4-bromo-3-fluorophenyl)ethyl]-4-hydroxy-6-methylpyridin-2-one (CID 170763414) is 1-[(1R)-1-(4-bromo-3-fluorophenyl)ethyl]-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-[(1R)-1-(4-bromo-3-fluorophenyl)ethyl]-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-[(1R)-1-(4-bromo-3-fluorophenyl)ethyl]-4-hydroxy-6-methylpyridin-2-one is Cc1cc(O)cc(=O)n1[C@H](C)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-[(1R)-1-(4-bromo-3-fluorophenyl)ethyl]-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is WAKDQQVAZHGTQS-SECBINFHSA-N. The full InChI is InChI=1S/C14H13BrFNO2/c1-8-5-11(18)7-14(19)17(8)9(2)10-3-4-12(15)13(16)6-10/h3-7,9,18H,1-2H3/t9-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-bromo-3-fluorophenyl)ethyl]-4-hydroxy-6-methylpyridin-2-one?
1-[(1R)-1-(4-bromo-3-fluorophenyl)ethyl]-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 326.17 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-bromo-3-fluorophenyl)ethyl]-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 170763414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).