3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-prop-2-ynylpyridin-2-one

C15H11ClFNO2 — CID 54703882

IUPAC3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-prop-2-ynylpyridin-2-one
SMILESC#CCn1ccc(O)c(Cc2c(F)cccc2Cl)c1=O
InChIInChI=1S/C15H11ClFNO2/c1-2-7-18-8-6-14(19)11(15(18)20)9-10-12(16)4-3-5-13(10)17/h1,3-6,8,19H,7,9H2
InChIKeyGIWKQLIRNVULJU-UHFFFAOYSA-N
MW291.71 g/mol
LogP2.57
Rot. Bonds3

About 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-prop-2-ynylpyridin-2-one

3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-prop-2-ynylpyridin-2-one (PubChem CID 54703882) has the molecular formula C15H11ClFNO2 and a molecular weight of 291.71 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-prop-2-ynylpyridin-2-one.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-prop-2-ynylpyridin-2-one
PubChem CID54703882
Molecular FormulaC15H11ClFNO2
Molecular Weight291.71 g/mol
Exact Mass291.05
IUPAC Name3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-prop-2-ynylpyridin-2-one
SMILESC#CCn1ccc(O)c(Cc2c(F)cccc2Cl)c1=O
InChIInChI=1S/C15H11ClFNO2/c1-2-7-18-8-6-14(19)11(15(18)20)9-10-12(16)4-3-5-13(10)17/h1,3-6,8,19H,7,9H2
InChIKeyGIWKQLIRNVULJU-UHFFFAOYSA-N
XLogP2.57
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-prop-2-ynylpyridin-2-one?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-prop-2-ynylpyridin-2-one (CID 54703882) is 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-prop-2-ynylpyridin-2-one.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-prop-2-ynylpyridin-2-one?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-prop-2-ynylpyridin-2-one is C#CCn1ccc(O)c(Cc2c(F)cccc2Cl)c1=O.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-prop-2-ynylpyridin-2-one?
The InChIKey is GIWKQLIRNVULJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO2/c1-2-7-18-8-6-14(19)11(15(18)20)9-10-12(16)4-3-5-13(10)17/h1,3-6,8,19H,7,9H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-prop-2-ynylpyridin-2-one?
3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-prop-2-ynylpyridin-2-one has a molecular weight of 291.71 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-prop-2-ynylpyridin-2-one is sourced from PubChem (CID 54703882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).