[6-(2,5-difluorobenzoyl)-3-pyridinyl]methyl acetate

C15H11F2NO3 — CID 23114640

IUPAC[6-(2,5-difluorobenzoyl)-3-pyridinyl]methyl acetate
SMILESCC(=O)OCc1ccc(C(=O)c2cc(F)ccc2F)nc1
InChIInChI=1S/C15H11F2NO3/c1-9(19)21-8-10-2-5-14(18-7-10)15(20)12-6-11(16)3-4-13(12)17/h2-7H,8H2,1H3
InChIKeyTZEPNKHKAMLTSR-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.65
Rot. Bonds4

About [6-(2,5-difluorobenzoyl)-3-pyridinyl]methyl acetate

[6-(2,5-difluorobenzoyl)-3-pyridinyl]methyl acetate (PubChem CID 23114640) has the molecular formula C15H11F2NO3 and a molecular weight of 291.25 g/mol. Its IUPAC name is [6-(2,5-difluorobenzoyl)-3-pyridinyl]methyl acetate.

Molecular Properties

Compound Name[6-(2,5-difluorobenzoyl)-3-pyridinyl]methyl acetate
PubChem CID23114640
Molecular FormulaC15H11F2NO3
Molecular Weight291.25 g/mol
Exact Mass291.07
IUPAC Name[6-(2,5-difluorobenzoyl)-3-pyridinyl]methyl acetate
SMILESCC(=O)OCc1ccc(C(=O)c2cc(F)ccc2F)nc1
InChIInChI=1S/C15H11F2NO3/c1-9(19)21-8-10-2-5-14(18-7-10)15(20)12-6-11(16)3-4-13(12)17/h2-7H,8H2,1H3
InChIKeyTZEPNKHKAMLTSR-UHFFFAOYSA-N
XLogP2.65
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(2,5-difluorobenzoyl)-3-pyridinyl]methyl acetate?
The IUPAC name of [6-(2,5-difluorobenzoyl)-3-pyridinyl]methyl acetate (CID 23114640) is [6-(2,5-difluorobenzoyl)-3-pyridinyl]methyl acetate.
What is the SMILES notation for [6-(2,5-difluorobenzoyl)-3-pyridinyl]methyl acetate?
The canonical SMILES for [6-(2,5-difluorobenzoyl)-3-pyridinyl]methyl acetate is CC(=O)OCc1ccc(C(=O)c2cc(F)ccc2F)nc1.
What is the InChIKey of [6-(2,5-difluorobenzoyl)-3-pyridinyl]methyl acetate?
The InChIKey is TZEPNKHKAMLTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO3/c1-9(19)21-8-10-2-5-14(18-7-10)15(20)12-6-11(16)3-4-13(12)17/h2-7H,8H2,1H3.
What are the key properties of [6-(2,5-difluorobenzoyl)-3-pyridinyl]methyl acetate?
[6-(2,5-difluorobenzoyl)-3-pyridinyl]methyl acetate has a molecular weight of 291.25 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,5-difluorobenzoyl)-3-pyridinyl]methyl acetate is sourced from PubChem (CID 23114640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).