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

C15H15NO2 — CID 766037

IUPAC4-(5-propyl-2-pyridinyl)benzoic acid
SMILESCCCc1ccc(-c2ccc(C(=O)O)cc2)nc1
InChIInChI=1S/C15H15NO2/c1-2-3-11-4-9-14(16-10-11)12-5-7-13(8-6-12)15(17)18/h4-10H,2-3H2,1H3,(H,17,18)
InChIKeyMUUPNHJYELPKQX-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.40
Rot. Bonds4

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

4-(5-propyl-2-pyridinyl)benzoic acid (PubChem CID 766037) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(5-propyl-2-pyridinyl)benzoic acid.

Molecular Properties

Compound Name4-(5-propyl-2-pyridinyl)benzoic acid
PubChem CID766037
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name4-(5-propyl-2-pyridinyl)benzoic acid
SMILESCCCc1ccc(-c2ccc(C(=O)O)cc2)nc1
InChIInChI=1S/C15H15NO2/c1-2-3-11-4-9-14(16-10-11)12-5-7-13(8-6-12)15(17)18/h4-10H,2-3H2,1H3,(H,17,18)
InChIKeyMUUPNHJYELPKQX-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-propyl-2-pyridinyl)benzoic acid?
The IUPAC name of 4-(5-propyl-2-pyridinyl)benzoic acid (CID 766037) is 4-(5-propyl-2-pyridinyl)benzoic acid.
What is the SMILES notation for 4-(5-propyl-2-pyridinyl)benzoic acid?
The canonical SMILES for 4-(5-propyl-2-pyridinyl)benzoic acid is CCCc1ccc(-c2ccc(C(=O)O)cc2)nc1.
What is the InChIKey of 4-(5-propyl-2-pyridinyl)benzoic acid?
The InChIKey is MUUPNHJYELPKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-2-3-11-4-9-14(16-10-11)12-5-7-13(8-6-12)15(17)18/h4-10H,2-3H2,1H3,(H,17,18).
What are the key properties of 4-(5-propyl-2-pyridinyl)benzoic acid?
4-(5-propyl-2-pyridinyl)benzoic acid has a molecular weight of 241.29 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propyl-2-pyridinyl)benzoic acid is sourced from PubChem (CID 766037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).