1-[2-(difluoromethoxy)-3-pyridinyl]ethanone

C8H7F2NO2 — CID 130837604

IUPAC1-[2-(difluoromethoxy)-3-pyridinyl]ethanone
SMILESCC(=O)c1cccnc1OC(F)F
InChIInChI=1S/C8H7F2NO2/c1-5(12)6-3-2-4-11-7(6)13-8(9)10/h2-4,8H,1H3
InChIKeySDLLYIZSOQYALF-UHFFFAOYSA-N
MW187.15 g/mol
LogP1.89
Rot. Bonds3

About 1-[2-(difluoromethoxy)-3-pyridinyl]ethanone

1-[2-(difluoromethoxy)-3-pyridinyl]ethanone (PubChem CID 130837604) has the molecular formula C8H7F2NO2 and a molecular weight of 187.15 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-3-pyridinyl]ethanone
PubChem CID130837604
Molecular FormulaC8H7F2NO2
Molecular Weight187.15 g/mol
Exact Mass187.04
IUPAC Name1-[2-(difluoromethoxy)-3-pyridinyl]ethanone
SMILESCC(=O)c1cccnc1OC(F)F
InChIInChI=1S/C8H7F2NO2/c1-5(12)6-3-2-4-11-7(6)13-8(9)10/h2-4,8H,1H3
InChIKeySDLLYIZSOQYALF-UHFFFAOYSA-N
XLogP1.89
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 166385426
1-[2-(difluoromethyl)-3-pyridinyl]ethanone;ethane
CID 159616967
propan-2-yl 2-propan-2-yloxypyridine-3-carboxylate
CID 121229095
2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid
CID 66275211
1-[2-(4-methylsulfanylphenoxy)-3-pyridinyl]ethanone
CID 114055674
1-[3-(difluoromethoxy)-2-methylphenyl]ethanone
CID 70867743
1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone
CID 170916930
ethane;1-(2-methyl-3-pyridinyl)ethanone
CID 143815583
1-[2-(thian-4-yloxy)-3-pyridinyl]ethanone
CID 71216687
1-[3-bromo-2-(difluoromethoxy)phenyl]ethanone
CID 171027893
1-[2-(4-bromo-2-methylphenoxy)-3-pyridinyl]ethanone
CID 114055671
2,3-difluoro-N-(2-propan-2-yloxy-3-pyridinyl)benzamide
CID 62661805

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-3-pyridinyl]ethanone?
The IUPAC name of 1-[2-(difluoromethoxy)-3-pyridinyl]ethanone (CID 130837604) is 1-[2-(difluoromethoxy)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-(difluoromethoxy)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2-(difluoromethoxy)-3-pyridinyl]ethanone is CC(=O)c1cccnc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)-3-pyridinyl]ethanone?
The InChIKey is SDLLYIZSOQYALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c1-5(12)6-3-2-4-11-7(6)13-8(9)10/h2-4,8H,1H3.
What are the key properties of 1-[2-(difluoromethoxy)-3-pyridinyl]ethanone?
1-[2-(difluoromethoxy)-3-pyridinyl]ethanone has a molecular weight of 187.15 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-3-pyridinyl]ethanone is sourced from PubChem (CID 130837604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).