1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]pyridin-2-one

C18H11Cl2F2NO — CID 69224975

IUPAC1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]pyridin-2-one
SMILESO=c1ccc(Cc2ccc(F)cc2F)cn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C18H11Cl2F2NO/c19-14-2-1-3-15(20)18(14)23-10-11(4-7-17(23)24)8-12-5-6-13(21)9-16(12)22/h1-7,9-10H,8H2
InChIKeyBREYWBFQTZUQOS-UHFFFAOYSA-N
MW366.19 g/mol
LogP5.01
Rot. Bonds3

About 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]pyridin-2-one

1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]pyridin-2-one (PubChem CID 69224975) has the molecular formula C18H11Cl2F2NO and a molecular weight of 366.19 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]pyridin-2-one
PubChem CID69224975
Molecular FormulaC18H11Cl2F2NO
Molecular Weight366.19 g/mol
Exact Mass365.02
IUPAC Name1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]pyridin-2-one
SMILESO=c1ccc(Cc2ccc(F)cc2F)cn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C18H11Cl2F2NO/c19-14-2-1-3-15(20)18(14)23-10-11(4-7-17(23)24)8-12-5-6-13(21)9-16(12)22/h1-7,9-10H,8H2
InChIKeyBREYWBFQTZUQOS-UHFFFAOYSA-N
XLogP5.01
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.19
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]pyridin-2-one?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]pyridin-2-one (CID 69224975) is 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]pyridin-2-one is O=c1ccc(Cc2ccc(F)cc2F)cn1-c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]pyridin-2-one?
The InChIKey is BREYWBFQTZUQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2F2NO/c19-14-2-1-3-15(20)18(14)23-10-11(4-7-17(23)24)8-12-5-6-13(21)9-16(12)22/h1-7,9-10H,8H2.
What are the key properties of 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]pyridin-2-one?
1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]pyridin-2-one has a molecular weight of 366.19 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 69224975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).