(4-acetylphenyl) 6-methylpyridine-2-carboxylate

C15H13NO3 — CID 31701088

IUPAC(4-acetylphenyl) 6-methylpyridine-2-carboxylate
SMILESCC(=O)c1ccc(OC(=O)c2cccc(C)n2)cc1
InChIInChI=1S/C15H13NO3/c1-10-4-3-5-14(16-10)15(18)19-13-8-6-12(7-9-13)11(2)17/h3-9H,1-2H3
InChIKeyJDOOLJAYDKLRLO-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.81
Rot. Bonds3

About (4-acetylphenyl) 6-methylpyridine-2-carboxylate

(4-acetylphenyl) 6-methylpyridine-2-carboxylate (PubChem CID 31701088) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is (4-acetylphenyl) 6-methylpyridine-2-carboxylate.

Molecular Properties

Compound Name(4-acetylphenyl) 6-methylpyridine-2-carboxylate
PubChem CID31701088
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name(4-acetylphenyl) 6-methylpyridine-2-carboxylate
SMILESCC(=O)c1ccc(OC(=O)c2cccc(C)n2)cc1
InChIInChI=1S/C15H13NO3/c1-10-4-3-5-14(16-10)15(18)19-13-8-6-12(7-9-13)11(2)17/h3-9H,1-2H3
InChIKeyJDOOLJAYDKLRLO-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
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

bis(4-acetylphenyl) pyridine-2,6-dicarboxylate
CID 4647078
(4-cyanophenyl) 6-methylpyridine-2-carboxylate
CID 31704187
(4-acetylphenyl) 3-acetylbenzoate
CID 58763507
(4-acetylphenyl) 3-methylbenzoate
CID 795319
(4-acetylphenyl) 2,6-dimethoxybenzoate
CID 795776
(4-acetylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2648489
bis(4-cyanophenyl) pyridine-2,6-dicarboxylate
CID 1150999
phenyl 5,6-dimethylpyridine-2-carboxylate
CID 102198426
(4-acetylphenyl) 2-(4-methylphenyl)quinoline-4-carboxylate
CID 1128701
2-O-ethyl 6-O-(6-methyl-3-pyridinyl) pyridine-2,6-dicarboxylate
CID 3335143
2-(6-methylpyridine-2-carbonyl)oxypropanoic acid
CID 100987027
(4-acetylphenyl) 2-fluorobenzoate
CID 23011837

Frequently Asked Questions

What is the IUPAC name of (4-acetylphenyl) 6-methylpyridine-2-carboxylate?
The IUPAC name of (4-acetylphenyl) 6-methylpyridine-2-carboxylate (CID 31701088) is (4-acetylphenyl) 6-methylpyridine-2-carboxylate.
What is the SMILES notation for (4-acetylphenyl) 6-methylpyridine-2-carboxylate?
The canonical SMILES for (4-acetylphenyl) 6-methylpyridine-2-carboxylate is CC(=O)c1ccc(OC(=O)c2cccc(C)n2)cc1.
What is the InChIKey of (4-acetylphenyl) 6-methylpyridine-2-carboxylate?
The InChIKey is JDOOLJAYDKLRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-10-4-3-5-14(16-10)15(18)19-13-8-6-12(7-9-13)11(2)17/h3-9H,1-2H3.
What are the key properties of (4-acetylphenyl) 6-methylpyridine-2-carboxylate?
(4-acetylphenyl) 6-methylpyridine-2-carboxylate has a molecular weight of 255.27 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetylphenyl) 6-methylpyridine-2-carboxylate is sourced from PubChem (CID 31701088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).