1-(2,6-difluorophenyl)-2-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]ethanone

C25H18F2N2O — CID 149192007

IUPAC1-(2,6-difluorophenyl)-2-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]ethanone
SMILESCc1ccc(-c2cccnc2)cc1-c1ccc(CC(=O)c2c(F)cccc2F)nc1
InChIInChI=1S/C25H18F2N2O/c1-16-7-8-17(18-4-3-11-28-14-18)12-21(16)19-9-10-20(29-15-19)13-24(30)25-22(26)5-2-6-23(25)27/h2-12,14-15H,13H2,1H3
InChIKeyXDABHYFGQBIYTP-UHFFFAOYSA-N
MW400.43 g/mol
LogP5.82
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]ethanone

1-(2,6-difluorophenyl)-2-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]ethanone (PubChem CID 149192007) has the molecular formula C25H18F2N2O and a molecular weight of 400.43 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]ethanone
PubChem CID149192007
Molecular FormulaC25H18F2N2O
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name1-(2,6-difluorophenyl)-2-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]ethanone
SMILESCc1ccc(-c2cccnc2)cc1-c1ccc(CC(=O)c2c(F)cccc2F)nc1
InChIInChI=1S/C25H18F2N2O/c1-16-7-8-17(18-4-3-11-28-14-18)12-21(16)19-9-10-20(29-15-19)13-24(30)25-22(26)5-2-6-23(25)27/h2-12,14-15H,13H2,1H3
InChIKeyXDABHYFGQBIYTP-UHFFFAOYSA-N
XLogP5.82
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-2-[4-(2-methyl-5-pyridin-4-ylphenyl)phenyl]ethanone
CID 149476999
1-(2,6-difluorophenyl)-2-[6-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]-3-pyridinyl]ethanone
CID 162128318
2-(2-fluoro-5-pyridin-3-ylphenyl)acetic acid
CID 46315790
2-fluoro-6-pyridin-3-ylbenzoic acid
CID 46315544
(2-methyl-5-pyridin-3-ylphenyl)methanol
CID 153475584
3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
CID 155748097
2-(3-fluoro-2-pyridin-3-ylphenyl)acetic acid
CID 46315774
3-(4-fluoro-5-methyl-2-pyridin-3-ylphenyl)pyridine
CID 46316767
(2,6-difluoro-3-methylphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58065981
3-(2,5-difluoro-4-methylphenyl)pyridine
CID 143759776
2-fluoro-3-methyl-5-pyridin-3-ylpyridine
CID 46315737
1-(2-methyl-4-pyridin-3-ylphenyl)ethanone
CID 20716212

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]ethanone (CID 149192007) is 1-(2,6-difluorophenyl)-2-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]ethanone is Cc1ccc(-c2cccnc2)cc1-c1ccc(CC(=O)c2c(F)cccc2F)nc1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]ethanone?
The InChIKey is XDABHYFGQBIYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N2O/c1-16-7-8-17(18-4-3-11-28-14-18)12-21(16)19-9-10-20(29-15-19)13-24(30)25-22(26)5-2-6-23(25)27/h2-12,14-15H,13H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]ethanone?
1-(2,6-difluorophenyl)-2-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]ethanone has a molecular weight of 400.43 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 149192007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).