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

C15H15NO2 — CID 30515

IUPAC2-(4-methylphenyl)ethyl pyridine-3-carboxylate
SMILESCc1ccc(CCOC(=O)c2cccnc2)cc1
InChIInChI=1S/C15H15NO2/c1-12-4-6-13(7-5-12)8-10-18-15(17)14-3-2-9-16-11-14/h2-7,9,11H,8,10H2,1H3
InChIKeyVBKBPKQFPBNSKY-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.79
Rot. Bonds4

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

2-(4-methylphenyl)ethyl pyridine-3-carboxylate (PubChem CID 30515) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(4-methylphenyl)ethyl pyridine-3-carboxylate.

Molecular Properties

Compound Name2-(4-methylphenyl)ethyl pyridine-3-carboxylate
PubChem CID30515
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-(4-methylphenyl)ethyl pyridine-3-carboxylate
SMILESCc1ccc(CCOC(=O)c2cccnc2)cc1
InChIInChI=1S/C15H15NO2/c1-12-4-6-13(7-5-12)8-10-18-15(17)14-3-2-9-16-11-14/h2-7,9,11H,8,10H2,1H3
InChIKeyVBKBPKQFPBNSKY-UHFFFAOYSA-N
XLogP2.79
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-methylphenyl)ethyl pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Trigonelline
CID 5570
Methyl Nicotinate
CID 7151
Ethyl Nicotinate
CID 69188
Benzyl Nicotinate
CID 7191
2-Butoxyethyl 3-pyridinecarboxylate
CID 14866
Hexyl nicotinate
CID 90202
Isopropyl nicotinate
CID 68379
Butyl nicotinate
CID 81353
Nicametate
CID 71650
Nicotinate
CID 937
Niacin sodium
CID 23687810
Gentianine
CID 354616

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)ethyl pyridine-3-carboxylate?
The IUPAC name of 2-(4-methylphenyl)ethyl pyridine-3-carboxylate (CID 30515) is 2-(4-methylphenyl)ethyl pyridine-3-carboxylate.
What is the SMILES notation for 2-(4-methylphenyl)ethyl pyridine-3-carboxylate?
The canonical SMILES for 2-(4-methylphenyl)ethyl pyridine-3-carboxylate is Cc1ccc(CCOC(=O)c2cccnc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)ethyl pyridine-3-carboxylate?
The InChIKey is VBKBPKQFPBNSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-12-4-6-13(7-5-12)8-10-18-15(17)14-3-2-9-16-11-14/h2-7,9,11H,8,10H2,1H3.
What are the key properties of 2-(4-methylphenyl)ethyl pyridine-3-carboxylate?
2-(4-methylphenyl)ethyl pyridine-3-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)ethyl pyridine-3-carboxylate is sourced from PubChem (CID 30515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).