1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-one

C14H13ClFNO2 — CID 145174221

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-one
SMILESCOc1cn(Cc2ccc(F)c(Cl)c2)c(C)cc1=O
InChIInChI=1S/C14H13ClFNO2/c1-9-5-13(18)14(19-2)8-17(9)7-10-3-4-12(16)11(15)6-10/h3-6,8H,7H2,1-2H3
InChIKeyWXCYPFXZEMCXHZ-UHFFFAOYSA-N
MW281.71 g/mol
LogP3.01
Rot. Bonds3

About 1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-one

1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-one (PubChem CID 145174221) has the molecular formula C14H13ClFNO2 and a molecular weight of 281.71 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-one
PubChem CID145174221
Molecular FormulaC14H13ClFNO2
Molecular Weight281.71 g/mol
Exact Mass281.06
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-one
SMILESCOc1cn(Cc2ccc(F)c(Cl)c2)c(C)cc1=O
InChIInChI=1S/C14H13ClFNO2/c1-9-5-13(18)14(19-2)8-17(9)7-10-3-4-12(16)11(15)6-10/h3-6,8H,7H2,1-2H3
InChIKeyWXCYPFXZEMCXHZ-UHFFFAOYSA-N
XLogP3.01
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(5-Chloro-2-fluorophenyl)ethenylamino]-2-methoxyprop-2-enamide
CID 67558631
2-[1-(3-chloro-2,6-difluorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165325
2-[(2-chlorophenyl)methyl]-6-fluoro-7-methoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165535
1-[(3-Chloro-4-fluorophenyl)methyl]-5-methoxy-4-oxopyridine-2-carboxylic acid
CID 134290291
1-[(3-Chloro-4-fluorophenyl)methyl]-2-iodo-5-methoxypyridin-4-one
CID 134290292
1-Benzyl-2-[2-chloro-3-(trifluoromethyl)phenyl]-5-methoxypyridin-4-one
CID 134565230
1-Benzyl-2-[2-chloro-3-(trifluoromethyl)phenyl]-5-ethoxypyridin-4-one
CID 134565294
(E)-4-[(3-chloro-4-fluorophenyl)methylamino]-3-methoxybut-3-en-2-one
CID 145173745
(1Z)-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-fluoro-2-methoxypenta-1,4-dien-3-one
CID 166726009
2-(3-Chloro-5-fluorophenyl)pyridin-4(1H)-one
CID 53229416
2-(3-Chloro-4-fluorophenyl)pyridin-4(1H)-one
CID 53229420
1-Benzyl-2-(chloromethyl)-5-(2-fluoroethoxy)pyridin-4-one
CID 84007681

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-one?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-one (CID 145174221) is 1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-one.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-one?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-one is COc1cn(Cc2ccc(F)c(Cl)c2)c(C)cc1=O.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-one?
The InChIKey is WXCYPFXZEMCXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2/c1-9-5-13(18)14(19-2)8-17(9)7-10-3-4-12(16)11(15)6-10/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-one?
1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-one has a molecular weight of 281.71 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-one is sourced from PubChem (CID 145174221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).