4-(5-ethyl-2-pyridinyl)benzoic acid

C14H13NO2 — CID 647467

IUPAC4-(5-ethyl-2-pyridinyl)benzoic acid
SMILESCCc1ccc(-c2ccc(C(=O)O)cc2)nc1
InChIInChI=1S/C14H13NO2/c1-2-10-3-8-13(15-9-10)11-4-6-12(7-5-11)14(16)17/h3-9H,2H2,1H3,(H,16,17)
InChIKeyGOYNOMOGSIJUFR-UHFFFAOYSA-N
MW227.26 g/mol
LogP3.01
Rot. Bonds3

About 4-(5-ethyl-2-pyridinyl)benzoic acid

4-(5-ethyl-2-pyridinyl)benzoic acid (PubChem CID 647467) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-(5-ethyl-2-pyridinyl)benzoic acid.

Molecular Properties

Compound Name4-(5-ethyl-2-pyridinyl)benzoic acid
PubChem CID647467
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name4-(5-ethyl-2-pyridinyl)benzoic acid
SMILESCCc1ccc(-c2ccc(C(=O)O)cc2)nc1
InChIInChI=1S/C14H13NO2/c1-2-10-3-8-13(15-9-10)11-4-6-12(7-5-11)14(16)17/h3-9H,2H2,1H3,(H,16,17)
InChIKeyGOYNOMOGSIJUFR-UHFFFAOYSA-N
XLogP3.01
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2-pyridinyl)benzoic acid?
The IUPAC name of 4-(5-ethyl-2-pyridinyl)benzoic acid (CID 647467) is 4-(5-ethyl-2-pyridinyl)benzoic acid.
What is the SMILES notation for 4-(5-ethyl-2-pyridinyl)benzoic acid?
The canonical SMILES for 4-(5-ethyl-2-pyridinyl)benzoic acid is CCc1ccc(-c2ccc(C(=O)O)cc2)nc1.
What is the InChIKey of 4-(5-ethyl-2-pyridinyl)benzoic acid?
The InChIKey is GOYNOMOGSIJUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-2-10-3-8-13(15-9-10)11-4-6-12(7-5-11)14(16)17/h3-9H,2H2,1H3,(H,16,17).
What are the key properties of 4-(5-ethyl-2-pyridinyl)benzoic acid?
4-(5-ethyl-2-pyridinyl)benzoic acid has a molecular weight of 227.26 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2-pyridinyl)benzoic acid is sourced from PubChem (CID 647467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).