2-(2,4-difluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanone

C14H11F2NO2 — CID 114053696

IUPAC2-(2,4-difluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanone
SMILESCOc1cccnc1C(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C14H11F2NO2/c1-19-13-3-2-6-17-14(13)12(18)7-9-4-5-10(15)8-11(9)16/h2-6,8H,7H2,1H3
InChIKeyJAXWGXBCYSLEDY-UHFFFAOYSA-N
MW263.24 g/mol
LogP2.79
Rot. Bonds4

About 2-(2,4-difluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanone

2-(2,4-difluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanone (PubChem CID 114053696) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanone
PubChem CID114053696
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name2-(2,4-difluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanone
SMILESCOc1cccnc1C(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C14H11F2NO2/c1-19-13-3-2-6-17-14(13)12(18)7-9-4-5-10(15)8-11(9)16/h2-6,8H,7H2,1H3
InChIKeyJAXWGXBCYSLEDY-UHFFFAOYSA-N
XLogP2.79
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 104793440
2-(2,4-difluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 64560034
2-(4-fluoro-2-methylphenyl)-1-(3-methyl-2-pyridinyl)ethanone
CID 114347182
1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62196384
2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
CID 82730447
1-(3-bromo-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373365
3-(2,4-difluorophenyl)-1-(3,4-dimethoxyphenyl)propan-1-one
CID 53417201
1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone
CID 82769914
potassium 3-methoxypyridine-2-carboxylate
CID 159434407
sodium 3-methoxypyridine-2-carboxylate
CID 66803094
2-(2,4-difluorophenyl)-3-methoxypyridine
CID 90122660
bromo 3-methoxypyridine-2-carboxylate
CID 71151009

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanone?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanone (CID 114053696) is 2-(2,4-difluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanone?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanone is COc1cccnc1C(=O)Cc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanone?
The InChIKey is JAXWGXBCYSLEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c1-19-13-3-2-6-17-14(13)12(18)7-9-4-5-10(15)8-11(9)16/h2-6,8H,7H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanone?
2-(2,4-difluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanone has a molecular weight of 263.24 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanone is sourced from PubChem (CID 114053696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).