4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-ynylpyridin-2-one

C16H13F2NO2 — CID 22050251

IUPAC4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-ynylpyridin-2-one
SMILESC#CCn1c(C)cc(OCc2ccc(F)cc2F)cc1=O
InChIInChI=1S/C16H13F2NO2/c1-3-6-19-11(2)7-14(9-16(19)20)21-10-12-4-5-13(17)8-15(12)18/h1,4-5,7-9H,6,10H2,2H3
InChIKeyBJEBDXLHEYRRAC-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.65
Rot. Bonds4

About 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-ynylpyridin-2-one

4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-ynylpyridin-2-one (PubChem CID 22050251) has the molecular formula C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-ynylpyridin-2-one.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-ynylpyridin-2-one
PubChem CID22050251
Molecular FormulaC16H13F2NO2
Molecular Weight289.28 g/mol
Exact Mass289.09
IUPAC Name4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-ynylpyridin-2-one
SMILESC#CCn1c(C)cc(OCc2ccc(F)cc2F)cc1=O
InChIInChI=1S/C16H13F2NO2/c1-3-6-19-11(2)7-14(9-16(19)20)21-10-12-4-5-13(17)8-15(12)18/h1,4-5,7-9H,6,10H2,2H3
InChIKeyBJEBDXLHEYRRAC-UHFFFAOYSA-N
XLogP2.65
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
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 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-ynylpyridin-2-one?
The IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-ynylpyridin-2-one (CID 22050251) is 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-ynylpyridin-2-one.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-ynylpyridin-2-one?
The canonical SMILES for 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-ynylpyridin-2-one is C#CCn1c(C)cc(OCc2ccc(F)cc2F)cc1=O.
What is the InChIKey of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-ynylpyridin-2-one?
The InChIKey is BJEBDXLHEYRRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO2/c1-3-6-19-11(2)7-14(9-16(19)20)21-10-12-4-5-13(17)8-15(12)18/h1,4-5,7-9H,6,10H2,2H3.
What are the key properties of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-ynylpyridin-2-one?
4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-ynylpyridin-2-one has a molecular weight of 289.28 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-ynylpyridin-2-one is sourced from PubChem (CID 22050251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).