3-[(2-chloro-6-fluorophenyl)methoxy]-1-[(2,4-dichlorophenyl)methyl]-2-methylpyridin-4-one

C20H15Cl3FNO2 — CID 1490108

IUPAC3-[(2-chloro-6-fluorophenyl)methoxy]-1-[(2,4-dichlorophenyl)methyl]-2-methylpyridin-4-one
SMILESCc1c(OCc2c(F)cccc2Cl)c(=O)ccn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H15Cl3FNO2/c1-12-20(27-11-15-16(22)3-2-4-18(15)24)19(26)7-8-25(12)10-13-5-6-14(21)9-17(13)23/h2-9H,10-11H2,1H3
InChIKeyXPBTYAJUDORYPP-UHFFFAOYSA-N
MW426.70 g/mol
LogP5.88
Rot. Bonds5

About 3-[(2-chloro-6-fluorophenyl)methoxy]-1-[(2,4-dichlorophenyl)methyl]-2-methylpyridin-4-one

3-[(2-chloro-6-fluorophenyl)methoxy]-1-[(2,4-dichlorophenyl)methyl]-2-methylpyridin-4-one (PubChem CID 1490108) has the molecular formula C20H15Cl3FNO2 and a molecular weight of 426.70 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methoxy]-1-[(2,4-dichlorophenyl)methyl]-2-methylpyridin-4-one.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methoxy]-1-[(2,4-dichlorophenyl)methyl]-2-methylpyridin-4-one
PubChem CID1490108
Molecular FormulaC20H15Cl3FNO2
Molecular Weight426.70 g/mol
Exact Mass425.02
IUPAC Name3-[(2-chloro-6-fluorophenyl)methoxy]-1-[(2,4-dichlorophenyl)methyl]-2-methylpyridin-4-one
SMILESCc1c(OCc2c(F)cccc2Cl)c(=O)ccn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H15Cl3FNO2/c1-12-20(27-11-15-16(22)3-2-4-18(15)24)19(26)7-8-25(12)10-13-5-6-14(21)9-17(13)23/h2-9H,10-11H2,1H3
InChIKeyXPBTYAJUDORYPP-UHFFFAOYSA-N
XLogP5.88
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.70
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene
CID 112813104
1-[(2,4-dichlorophenyl)methyl]-4-[(4-methylphenyl)methoxy]pyridin-2-one
CID 16657539
(5E)-5-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]-3-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 124664728
1-chloro-2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene
CID 112613291
1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one
CID 63411519
1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene
CID 60627894
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanol
CID 112612622
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine
CID 112607809
1-[(2,4-dichlorophenyl)methyl]-4-propan-2-yloxypyridin-2-one
CID 67305124
1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole
CID 114859510
4-[(2-chloro-6-fluorophenyl)methoxy]-3,5-dimethylbenzenecarbothioamide
CID 65472294
2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 82051709

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methoxy]-1-[(2,4-dichlorophenyl)methyl]-2-methylpyridin-4-one?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methoxy]-1-[(2,4-dichlorophenyl)methyl]-2-methylpyridin-4-one (CID 1490108) is 3-[(2-chloro-6-fluorophenyl)methoxy]-1-[(2,4-dichlorophenyl)methyl]-2-methylpyridin-4-one.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methoxy]-1-[(2,4-dichlorophenyl)methyl]-2-methylpyridin-4-one?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methoxy]-1-[(2,4-dichlorophenyl)methyl]-2-methylpyridin-4-one is Cc1c(OCc2c(F)cccc2Cl)c(=O)ccn1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methoxy]-1-[(2,4-dichlorophenyl)methyl]-2-methylpyridin-4-one?
The InChIKey is XPBTYAJUDORYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl3FNO2/c1-12-20(27-11-15-16(22)3-2-4-18(15)24)19(26)7-8-25(12)10-13-5-6-14(21)9-17(13)23/h2-9H,10-11H2,1H3.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methoxy]-1-[(2,4-dichlorophenyl)methyl]-2-methylpyridin-4-one?
3-[(2-chloro-6-fluorophenyl)methoxy]-1-[(2,4-dichlorophenyl)methyl]-2-methylpyridin-4-one has a molecular weight of 426.70 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methoxy]-1-[(2,4-dichlorophenyl)methyl]-2-methylpyridin-4-one is sourced from PubChem (CID 1490108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).