[4-methyl-2-(pyridine-2-carbonyl)phenyl] acetate

C15H13NO3 — CID 102227246

IUPAC[4-methyl-2-(pyridine-2-carbonyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(C)cc1C(=O)c1ccccn1
InChIInChI=1S/C15H13NO3/c1-10-6-7-14(19-11(2)17)12(9-10)15(18)13-5-3-4-8-16-13/h3-9H,1-2H3
InChIKeyATVOZAPOQBKHEZ-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.55
Rot. Bonds3

About [4-methyl-2-(pyridine-2-carbonyl)phenyl] acetate

[4-methyl-2-(pyridine-2-carbonyl)phenyl] acetate (PubChem CID 102227246) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is [4-methyl-2-(pyridine-2-carbonyl)phenyl] acetate.

Molecular Properties

Compound Name[4-methyl-2-(pyridine-2-carbonyl)phenyl] acetate
PubChem CID102227246
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name[4-methyl-2-(pyridine-2-carbonyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(C)cc1C(=O)c1ccccn1
InChIInChI=1S/C15H13NO3/c1-10-6-7-14(19-11(2)17)12(9-10)15(18)13-5-3-4-8-16-13/h3-9H,1-2H3
InChIKeyATVOZAPOQBKHEZ-UHFFFAOYSA-N
XLogP2.55
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Acetyl-2-(trifluoromethyl)-4-pyridyl benzoate
CID 723671
1-(4-Methoxyphenyl)-3-(3-pyridinyl)-2-propen-1-one
CID 5717022
3-(4-Methoxyphenyl)-1-(2-pyridinyl)-2-propen-1-one
CID 6035979
2-Methylphenyl nicotinate
CID 829373
(4-Methoxyphenyl)-2-pyridinylmethanone
CID 80559
2,5-Dimethylphenyl isonicotinate
CID 821673
2-Pyridin-3-ylchromen-4-one
CID 241786
[4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]phenyl] pyridine-2-carboxylate
CID 2312658
(3E)-3-(pyridin-2-ylmethylidene)chromen-4-one
CID 1551716
[4-[(E)-2-ethoxycarbonyl-3-oxobut-1-enyl]phenyl] pyridine-4-carboxylate
CID 2325697
[2-(2,4-Dimethoxyphenyl)-2-oxoethyl] pyridine-2-carboxylate
CID 2637630
4h-1-Benzopyran-4-one,2,3-dihydro-6-methyl-2-(3-pyridinyl)-
CID 10681458

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(pyridine-2-carbonyl)phenyl] acetate?
The IUPAC name of [4-methyl-2-(pyridine-2-carbonyl)phenyl] acetate (CID 102227246) is [4-methyl-2-(pyridine-2-carbonyl)phenyl] acetate.
What is the SMILES notation for [4-methyl-2-(pyridine-2-carbonyl)phenyl] acetate?
The canonical SMILES for [4-methyl-2-(pyridine-2-carbonyl)phenyl] acetate is CC(=O)Oc1ccc(C)cc1C(=O)c1ccccn1.
What is the InChIKey of [4-methyl-2-(pyridine-2-carbonyl)phenyl] acetate?
The InChIKey is ATVOZAPOQBKHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-10-6-7-14(19-11(2)17)12(9-10)15(18)13-5-3-4-8-16-13/h3-9H,1-2H3.
What are the key properties of [4-methyl-2-(pyridine-2-carbonyl)phenyl] acetate?
[4-methyl-2-(pyridine-2-carbonyl)phenyl] acetate has a molecular weight of 255.27 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(pyridine-2-carbonyl)phenyl] acetate is sourced from PubChem (CID 102227246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).