4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carbonyl fluoride;ethane

C15H14F3NO2 — CID 144561636

IUPAC4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carbonyl fluoride;ethane
SMILESCC.COc1ccc(-c2nc(C(=O)F)cc(F)c2F)cc1
InChIInChI=1S/C13H8F3NO2.C2H6/c1-19-8-4-2-7(3-5-8)12-11(15)9(14)6-10(17-12)13(16)18;1-2/h2-6H,1H3;1-2H3
InChIKeyWJFXCVHLEYDMBY-UHFFFAOYSA-N
MW297.28 g/mol
LogP4.17
Rot. Bonds3

About 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carbonyl fluoride;ethane

4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carbonyl fluoride;ethane (PubChem CID 144561636) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carbonyl fluoride;ethane.

Molecular Properties

Compound Name4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carbonyl fluoride;ethane
PubChem CID144561636
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carbonyl fluoride;ethane
SMILESCC.COc1ccc(-c2nc(C(=O)F)cc(F)c2F)cc1
InChIInChI=1S/C13H8F3NO2.C2H6/c1-19-8-4-2-7(3-5-8)12-11(15)9(14)6-10(17-12)13(16)18;1-2/h2-6H,1H3;1-2H3
InChIKeyWJFXCVHLEYDMBY-UHFFFAOYSA-N
XLogP4.17
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

ethane;propan-2-yl 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carboxylate
CID 144561639
2,3,4,5-tetrafluoro-6-(4-methoxyphenyl)pyridine
CID 102219519
(2-fluoro-5-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 102282476
5-(4-methoxyphenyl)-1-(3,4,5-trifluorophenyl)triazole-4-carboxylic acid
CID 56768767
(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693772
[2-fluoro-4-(4-methoxyphenyl)phenyl] 2-methylprop-2-enoate;formaldehyde;2-methylprop-1-ene
CID 145389577
6-(2-fluoro-5-methoxyphenyl)naphthalene-2-carboxylic acid
CID 172868745
2,3-bis(4-methoxyphenyl)-5,6-dimethylpyrazine
CID 14100167
3,5-dimethoxybenzoyl fluoride
CID 102051744
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methoxybenzamide
CID 118537135
2,3,8,9-tetrakis(4-methoxyphenyl)pyrazino[2,3-f]quinoxaline
CID 15620164
2-(2-fluoro-4-methoxyphenyl)-2-oxoacetaldehyde;hydrate
CID 2783263

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carbonyl fluoride;ethane?
The IUPAC name of 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carbonyl fluoride;ethane (CID 144561636) is 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carbonyl fluoride;ethane.
What is the SMILES notation for 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carbonyl fluoride;ethane?
The canonical SMILES for 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carbonyl fluoride;ethane is CC.COc1ccc(-c2nc(C(=O)F)cc(F)c2F)cc1.
What is the InChIKey of 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carbonyl fluoride;ethane?
The InChIKey is WJFXCVHLEYDMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO2.C2H6/c1-19-8-4-2-7(3-5-8)12-11(15)9(14)6-10(17-12)13(16)18;1-2/h2-6H,1H3;1-2H3.
What are the key properties of 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carbonyl fluoride;ethane?
4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carbonyl fluoride;ethane has a molecular weight of 297.28 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carbonyl fluoride;ethane is sourced from PubChem (CID 144561636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).