methyl 5-acetyl-6-methyl-4-phenylpyridine-2-carboxylate

C16H15NO3 — CID 102410586

IUPACmethyl 5-acetyl-6-methyl-4-phenylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)c(C(C)=O)c(C)n1
InChIInChI=1S/C16H15NO3/c1-10-15(11(2)18)13(12-7-5-4-6-8-12)9-14(17-10)16(19)20-3/h4-9H,1-3H3
InChIKeyWBCRWOUMPXSLDN-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.05
Rot. Bonds3

About methyl 5-acetyl-6-methyl-4-phenylpyridine-2-carboxylate

methyl 5-acetyl-6-methyl-4-phenylpyridine-2-carboxylate (PubChem CID 102410586) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 5-acetyl-6-methyl-4-phenylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetyl-6-methyl-4-phenylpyridine-2-carboxylate
PubChem CID102410586
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Namemethyl 5-acetyl-6-methyl-4-phenylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)c(C(C)=O)c(C)n1
InChIInChI=1S/C16H15NO3/c1-10-15(11(2)18)13(12-7-5-4-6-8-12)9-14(17-10)16(19)20-3/h4-9H,1-3H3
InChIKeyWBCRWOUMPXSLDN-UHFFFAOYSA-N
XLogP3.05
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-acetyl-6-methyl-4-phenylpyridine-2-carboxylate?
The IUPAC name of methyl 5-acetyl-6-methyl-4-phenylpyridine-2-carboxylate (CID 102410586) is methyl 5-acetyl-6-methyl-4-phenylpyridine-2-carboxylate.
What is the SMILES notation for methyl 5-acetyl-6-methyl-4-phenylpyridine-2-carboxylate?
The canonical SMILES for methyl 5-acetyl-6-methyl-4-phenylpyridine-2-carboxylate is COC(=O)c1cc(-c2ccccc2)c(C(C)=O)c(C)n1.
What is the InChIKey of methyl 5-acetyl-6-methyl-4-phenylpyridine-2-carboxylate?
The InChIKey is WBCRWOUMPXSLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-10-15(11(2)18)13(12-7-5-4-6-8-12)9-14(17-10)16(19)20-3/h4-9H,1-3H3.
What are the key properties of methyl 5-acetyl-6-methyl-4-phenylpyridine-2-carboxylate?
methyl 5-acetyl-6-methyl-4-phenylpyridine-2-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetyl-6-methyl-4-phenylpyridine-2-carboxylate is sourced from PubChem (CID 102410586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).