1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanone

C8H7F2NO2 — CID 58367441

IUPAC1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanone
SMILESCOCC(=O)c1ncc(F)cc1F
InChIInChI=1S/C8H7F2NO2/c1-13-4-7(12)8-6(10)2-5(9)3-11-8/h2-3H,4H2,1H3
InChIKeyZXILKKJXEWJTCO-UHFFFAOYSA-N
MW187.15 g/mol
LogP1.19
Rot. Bonds3

About 1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanone

1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanone (PubChem CID 58367441) has the molecular formula C8H7F2NO2 and a molecular weight of 187.15 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanone
PubChem CID58367441
Molecular FormulaC8H7F2NO2
Molecular Weight187.15 g/mol
Exact Mass187.04
IUPAC Name1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanone
SMILESCOCC(=O)c1ncc(F)cc1F
InChIInChI=1S/C8H7F2NO2/c1-13-4-7(12)8-6(10)2-5(9)3-11-8/h2-3H,4H2,1H3
InChIKeyZXILKKJXEWJTCO-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-N-methylpyridine-2-carboxamide
CID 58243777
3,5-difluoro-N-(2-methoxy-2-methylpropyl)pyridine-2-carboxamide
CID 50956881
pyrrol-1-yl 3,5-difluoropyridine-2-carboxylate
CID 175307949
methyl 3-chloro-5-fluoropyridine-2-carboxylate
CID 46311235
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanone
CID 106880740
1-(3,4-difluoro-5-methoxyphenyl)-2-methoxyethanone
CID 146011423
[amino-(3,5-difluoro-2-pyridinyl)methylidene]azanium chloride
CID 169424896
[(4aR,7aS)-1-(2-methoxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-(3,5-difluoro-2-pyridinyl)methanone
CID 70720280
methyl 5-(aminomethyl)-3-fluoropyridine-2-carboxylate
CID 117275720
1-(2,5-difluoro-4-methoxyphenyl)-2-methoxyethanone
CID 146010216
2-[(3,5-difluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 113407924
3-bromo-5-fluoro-N-methoxy-N-methylpyridine-2-carboxamide
CID 133054949

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanone?
The IUPAC name of 1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanone (CID 58367441) is 1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanone.
What is the SMILES notation for 1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanone?
The canonical SMILES for 1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanone is COCC(=O)c1ncc(F)cc1F.
What is the InChIKey of 1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanone?
The InChIKey is ZXILKKJXEWJTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c1-13-4-7(12)8-6(10)2-5(9)3-11-8/h2-3H,4H2,1H3.
What are the key properties of 1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanone?
1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanone has a molecular weight of 187.15 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanone is sourced from PubChem (CID 58367441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).