3-[2-(5-methyl-2-pyridinyl)ethyl]benzoic acid

C15H15NO2 — CID 174722222

IUPAC3-[2-(5-methyl-2-pyridinyl)ethyl]benzoic acid
SMILESCc1ccc(CCc2cccc(C(=O)O)c2)nc1
InChIInChI=1S/C15H15NO2/c1-11-5-7-14(16-10-11)8-6-12-3-2-4-13(9-12)15(17)18/h2-5,7,9-10H,6,8H2,1H3,(H,17,18)
InChIKeySSHUJNFUMVYGBW-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.87
Rot. Bonds4

About 3-[2-(5-methyl-2-pyridinyl)ethyl]benzoic acid

3-[2-(5-methyl-2-pyridinyl)ethyl]benzoic acid (PubChem CID 174722222) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[2-(5-methyl-2-pyridinyl)ethyl]benzoic acid.

Molecular Properties

Compound Name3-[2-(5-methyl-2-pyridinyl)ethyl]benzoic acid
PubChem CID174722222
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name3-[2-(5-methyl-2-pyridinyl)ethyl]benzoic acid
SMILESCc1ccc(CCc2cccc(C(=O)O)c2)nc1
InChIInChI=1S/C15H15NO2/c1-11-5-7-14(16-10-11)8-6-12-3-2-4-13(9-12)15(17)18/h2-5,7,9-10H,6,8H2,1H3,(H,17,18)
InChIKeySSHUJNFUMVYGBW-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]pyridine
CID 86125862
3-(5-methyl-2-pyridinyl)propanoic acid
CID 79002141
3-ethylbenzoic acid;propane
CID 177324794
2-methyl-4-[2-(5-methyl-2-pyridinyl)ethyl]pyridine
CID 155439159
3-[2-(7-chloroquinolin-2-yl)ethyl]benzoic acid
CID 71122151
3-(2-methylsulfanylethyl)benzoic acid
CID 115020753
3-[(6-methylpyrimidin-4-yl)methyl]benzoic acid
CID 174477949
2-(5-methyl-2-pyridinyl)ethanol
CID 14546495
3-[2-[3-(2,2-dihydroxyethyl)phenyl]ethyl]benzoic acid
CID 18682979
2-[2-(3-carboxyphenyl)ethyl]benzoic acid
CID 22404884
3-methylbenzoic acid
CID 7418
3-[(2-chloro-4-methylphenoxy)methyl]benzoic acid
CID 62669913

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-methyl-2-pyridinyl)ethyl]benzoic acid?
The IUPAC name of 3-[2-(5-methyl-2-pyridinyl)ethyl]benzoic acid (CID 174722222) is 3-[2-(5-methyl-2-pyridinyl)ethyl]benzoic acid.
What is the SMILES notation for 3-[2-(5-methyl-2-pyridinyl)ethyl]benzoic acid?
The canonical SMILES for 3-[2-(5-methyl-2-pyridinyl)ethyl]benzoic acid is Cc1ccc(CCc2cccc(C(=O)O)c2)nc1.
What is the InChIKey of 3-[2-(5-methyl-2-pyridinyl)ethyl]benzoic acid?
The InChIKey is SSHUJNFUMVYGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-11-5-7-14(16-10-11)8-6-12-3-2-4-13(9-12)15(17)18/h2-5,7,9-10H,6,8H2,1H3,(H,17,18).
What are the key properties of 3-[2-(5-methyl-2-pyridinyl)ethyl]benzoic acid?
3-[2-(5-methyl-2-pyridinyl)ethyl]benzoic acid has a molecular weight of 241.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-methyl-2-pyridinyl)ethyl]benzoic acid is sourced from PubChem (CID 174722222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).