1-(3-chloro-4-fluorophenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one

C15H15ClFNO2 — CID 82420472

IUPAC1-(3-chloro-4-fluorophenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one
SMILESCc1cc(=O)c(C(C)(C)O)cn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H15ClFNO2/c1-9-6-14(19)11(15(2,3)20)8-18(9)10-4-5-13(17)12(16)7-10/h4-8,20H,1-3H3
InChIKeyJHJNDXAEEMIOJR-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.17
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one

1-(3-chloro-4-fluorophenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one (PubChem CID 82420472) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one
PubChem CID82420472
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name1-(3-chloro-4-fluorophenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one
SMILESCc1cc(=O)c(C(C)(C)O)cn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H15ClFNO2/c1-9-6-14(19)11(15(2,3)20)8-18(9)10-4-5-13(17)12(16)7-10/h4-8,20H,1-3H3
InChIKeyJHJNDXAEEMIOJR-UHFFFAOYSA-N
XLogP3.17
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-aminopropan-2-yl)-1-(3-chloro-4-fluorophenyl)-2-methylpyridin-4-one
CID 82420473
1-(3-chloro-4-fluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
CID 82420457
1-(3-chloro-4-fluorophenyl)-6-methyl-4-oxopyridine-3-carbonitrile
CID 82420458
3-[1-(3-chloro-4-fluorophenyl)-6-methyl-4-oxo-3-pyridinyl]propanoic acid
CID 82420476
5-(2-hydroxypropan-2-yl)-2-methyl-1-(2-methylphenyl)pyridin-4-one
CID 82419586
1-(3-chloro-4-fluorophenyl)-3-(chloromethyl)-6-methylpyridazin-4-one
CID 82420490
1-(2-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one
CID 82419865
1-(3-chloro-4-fluorophenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
CID 82420484
1-(3,4-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
CID 82420920
5-(chloromethyl)-1-(3-chloro-4-methylphenyl)-2-methylpyridin-4-one
CID 82419425
1-(4-chlorophenyl)-6-methyl-4-oxopyridine-3-carbothioamide
CID 82422137
1-(3,4-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide
CID 82420947

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one (CID 82420472) is 1-(3-chloro-4-fluorophenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one is Cc1cc(=O)c(C(C)(C)O)cn1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one?
The InChIKey is JHJNDXAEEMIOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-9-6-14(19)11(15(2,3)20)8-18(9)10-4-5-13(17)12(16)7-10/h4-8,20H,1-3H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one?
1-(3-chloro-4-fluorophenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one has a molecular weight of 295.74 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one is sourced from PubChem (CID 82420472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).