2-[(5-ethyl-2-pyridinyl)methyl]benzoic acid

C15H15NO2 — CID 79740576

IUPAC2-[(5-ethyl-2-pyridinyl)methyl]benzoic acid
SMILESCCc1ccc(Cc2ccccc2C(=O)O)nc1
InChIInChI=1S/C15H15NO2/c1-2-11-7-8-13(16-10-11)9-12-5-3-4-6-14(12)15(17)18/h3-8,10H,2,9H2,1H3,(H,17,18)
InChIKeyHGCGGHRVMZZKJC-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.93
Rot. Bonds4

About 2-[(5-ethyl-2-pyridinyl)methyl]benzoic acid

2-[(5-ethyl-2-pyridinyl)methyl]benzoic acid (PubChem CID 79740576) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[(5-ethyl-2-pyridinyl)methyl]benzoic acid.

Molecular Properties

Compound Name2-[(5-ethyl-2-pyridinyl)methyl]benzoic acid
PubChem CID79740576
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-[(5-ethyl-2-pyridinyl)methyl]benzoic acid
SMILESCCc1ccc(Cc2ccccc2C(=O)O)nc1
InChIInChI=1S/C15H15NO2/c1-2-11-7-8-13(16-10-11)9-12-5-3-4-6-14(12)15(17)18/h3-8,10H,2,9H2,1H3,(H,17,18)
InChIKeyHGCGGHRVMZZKJC-UHFFFAOYSA-N
XLogP2.93
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(5-ethyl-2-pyridinyl)methyl]benzoic acid 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

2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorobenzoic acid
CID 79740577
2-(5-ethyl-2-pyridinyl)-1-(2-fluorophenyl)ethanone
CID 79746106
2-ethylbenzoic acid;tungsten
CID 23518478
2-[(4-benzylphenyl)methyl]benzoic acid
CID 150682144
2-[[4-(aminomethyl)phenyl]methyl]benzoic acid
CID 19794414
2-[3-(4-ethylphenyl)propyl]benzoic acid
CID 54190644
ethyl 2-[(6-amino-3-pyridinyl)methyl]benzoate
CID 174469020
1-(5-ethyl-2-pyridinyl)-3,3-dimethylbutan-2-one
CID 79745157
4-amino-1-(5-ethyl-2-pyridinyl)-4-phenylbutan-2-one
CID 116552960
2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorophenol
CID 83129957
2-[(2-chloropyrimidin-4-yl)methyl]benzoic acid
CID 158709449
1-(5-ethyl-2-pyridinyl)-4-(methylamino)butan-2-one
CID 116561045

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-2-pyridinyl)methyl]benzoic acid?
The IUPAC name of 2-[(5-ethyl-2-pyridinyl)methyl]benzoic acid (CID 79740576) is 2-[(5-ethyl-2-pyridinyl)methyl]benzoic acid.
What is the SMILES notation for 2-[(5-ethyl-2-pyridinyl)methyl]benzoic acid?
The canonical SMILES for 2-[(5-ethyl-2-pyridinyl)methyl]benzoic acid is CCc1ccc(Cc2ccccc2C(=O)O)nc1.
What is the InChIKey of 2-[(5-ethyl-2-pyridinyl)methyl]benzoic acid?
The InChIKey is HGCGGHRVMZZKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-2-11-7-8-13(16-10-11)9-12-5-3-4-6-14(12)15(17)18/h3-8,10H,2,9H2,1H3,(H,17,18).
What are the key properties of 2-[(5-ethyl-2-pyridinyl)methyl]benzoic acid?
2-[(5-ethyl-2-pyridinyl)methyl]benzoic acid has a molecular weight of 241.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-2-pyridinyl)methyl]benzoic acid is sourced from PubChem (CID 79740576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).