methyl 4-(3-acetylphenyl)pyridine-2-carboxylate

C15H13NO3 — CID 164543652

IUPACmethyl 4-(3-acetylphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(C(C)=O)c2)ccn1
InChIInChI=1S/C15H13NO3/c1-10(17)11-4-3-5-12(8-11)13-6-7-16-14(9-13)15(18)19-2/h3-9H,1-2H3
InChIKeyRGVGWFWRPNBZEM-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.74
Rot. Bonds3

About methyl 4-(3-acetylphenyl)pyridine-2-carboxylate

methyl 4-(3-acetylphenyl)pyridine-2-carboxylate (PubChem CID 164543652) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 4-(3-acetylphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-acetylphenyl)pyridine-2-carboxylate
PubChem CID164543652
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Namemethyl 4-(3-acetylphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(C(C)=O)c2)ccn1
InChIInChI=1S/C15H13NO3/c1-10(17)11-4-3-5-12(8-11)13-6-7-16-14(9-13)15(18)19-2/h3-9H,1-2H3
InChIKeyRGVGWFWRPNBZEM-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-acetylphenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-(3-acetylphenyl)pyridine-2-carboxylate (CID 164543652) is methyl 4-(3-acetylphenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(3-acetylphenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(3-acetylphenyl)pyridine-2-carboxylate is COC(=O)c1cc(-c2cccc(C(C)=O)c2)ccn1.
What is the InChIKey of methyl 4-(3-acetylphenyl)pyridine-2-carboxylate?
The InChIKey is RGVGWFWRPNBZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-10(17)11-4-3-5-12(8-11)13-6-7-16-14(9-13)15(18)19-2/h3-9H,1-2H3.
What are the key properties of methyl 4-(3-acetylphenyl)pyridine-2-carboxylate?
methyl 4-(3-acetylphenyl)pyridine-2-carboxylate has a molecular weight of 255.27 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-acetylphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 164543652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).