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

C14H13NO2 — CID 15506050

IUPACmethyl 2-(4-methylphenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1-c1ccc(C)cc1
InChIInChI=1S/C14H13NO2/c1-10-5-7-11(8-6-10)13-12(14(16)17-2)4-3-9-15-13/h3-9H,1-2H3
InChIKeyXCNOCOPXXHQUSJ-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.84
Rot. Bonds2

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

methyl 2-(4-methylphenyl)pyridine-3-carboxylate (PubChem CID 15506050) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 2-(4-methylphenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methylphenyl)pyridine-3-carboxylate
PubChem CID15506050
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Namemethyl 2-(4-methylphenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1-c1ccc(C)cc1
InChIInChI=1S/C14H13NO2/c1-10-5-7-11(8-6-10)13-12(14(16)17-2)4-3-9-15-13/h3-9H,1-2H3
InChIKeyXCNOCOPXXHQUSJ-UHFFFAOYSA-N
XLogP2.84
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methylphenyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(4-methylphenyl)pyridine-3-carboxylate (CID 15506050) is methyl 2-(4-methylphenyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(4-methylphenyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(4-methylphenyl)pyridine-3-carboxylate is COC(=O)c1cccnc1-c1ccc(C)cc1.
What is the InChIKey of methyl 2-(4-methylphenyl)pyridine-3-carboxylate?
The InChIKey is XCNOCOPXXHQUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-10-5-7-11(8-6-10)13-12(14(16)17-2)4-3-9-15-13/h3-9H,1-2H3.
What are the key properties of methyl 2-(4-methylphenyl)pyridine-3-carboxylate?
methyl 2-(4-methylphenyl)pyridine-3-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methylphenyl)pyridine-3-carboxylate is sourced from PubChem (CID 15506050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).