2-(2,5-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone

C15H13F2NO — CID 113365493

IUPAC2-(2,5-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone
SMILESCc1cnc(C(=O)Cc2cc(F)ccc2F)c(C)c1
InChIInChI=1S/C15H13F2NO/c1-9-5-10(2)15(18-8-9)14(19)7-11-6-12(16)3-4-13(11)17/h3-6,8H,7H2,1-2H3
InChIKeyMYULBBRYRCMBLN-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.40
Rot. Bonds3

About 2-(2,5-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone

2-(2,5-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone (PubChem CID 113365493) has the molecular formula C15H13F2NO and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone
PubChem CID113365493
Molecular FormulaC15H13F2NO
Molecular Weight261.27 g/mol
Exact Mass261.10
IUPAC Name2-(2,5-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone
SMILESCc1cnc(C(=O)Cc2cc(F)ccc2F)c(C)c1
InChIInChI=1S/C15H13F2NO/c1-9-5-10(2)15(18-8-9)14(19)7-11-6-12(16)3-4-13(11)17/h3-6,8H,7H2,1-2H3
InChIKeyMYULBBRYRCMBLN-UHFFFAOYSA-N
XLogP3.40
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanone
CID 114963999
1-(3,5-dichloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347309
2-(2,5-difluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 63556118
1-(2-bromo-5-methylphenyl)-2-(2,5-difluorophenyl)ethanone
CID 114964013
2-(4-fluoro-2-methylphenyl)-1-(3-methyl-2-pyridinyl)ethanone
CID 114347182
1-(2-amino-5-methyl-3-pyridinyl)-2-(2,4-difluorophenyl)ethanone
CID 64558684
2-(2,5-difluorophenyl)-1-(5-methylfuran-2-yl)ethanone
CID 114963994
3,5-dimethylpyridine-2-carboxylic acid
CID 15426890
1-(5-chloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347317
1-(3-bromo-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373365
1-(4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373147
2-(2,5-difluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 63893918

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone (CID 113365493) is 2-(2,5-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone is Cc1cnc(C(=O)Cc2cc(F)ccc2F)c(C)c1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone?
The InChIKey is MYULBBRYRCMBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO/c1-9-5-10(2)15(18-8-9)14(19)7-11-6-12(16)3-4-13(11)17/h3-6,8H,7H2,1-2H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone?
2-(2,5-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone has a molecular weight of 261.27 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone is sourced from PubChem (CID 113365493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).