2-pyridin-4-ylbutanoic acid

C9H11NO2 — CID 22621922

IUPAC2-pyridin-4-ylbutanoic acid
SMILESCCC(C(=O)O)c1ccncc1
InChIInChI=1S/C9H11NO2/c1-2-8(9(11)12)7-3-5-10-6-4-7/h3-6,8H,2H2,1H3,(H,11,12)
InChIKeyYQORMSBFOZKIPW-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.66
Rot. Bonds3

About 2-pyridin-4-ylbutanoic acid

2-pyridin-4-ylbutanoic acid (PubChem CID 22621922) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2-pyridin-4-ylbutanoic acid.

Molecular Properties

Compound Name2-pyridin-4-ylbutanoic acid
PubChem CID22621922
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name2-pyridin-4-ylbutanoic acid
SMILESCCC(C(=O)O)c1ccncc1
InChIInChI=1S/C9H11NO2/c1-2-8(9(11)12)7-3-5-10-6-4-7/h3-6,8H,2H2,1H3,(H,11,12)
InChIKeyYQORMSBFOZKIPW-UHFFFAOYSA-N
XLogP1.66
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-pyridin-4-ylbutanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-ylbutanoic acid?
The IUPAC name of 2-pyridin-4-ylbutanoic acid (CID 22621922) is 2-pyridin-4-ylbutanoic acid.
What is the SMILES notation for 2-pyridin-4-ylbutanoic acid?
The canonical SMILES for 2-pyridin-4-ylbutanoic acid is CCC(C(=O)O)c1ccncc1.
What is the InChIKey of 2-pyridin-4-ylbutanoic acid?
The InChIKey is YQORMSBFOZKIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-2-8(9(11)12)7-3-5-10-6-4-7/h3-6,8H,2H2,1H3,(H,11,12).
What are the key properties of 2-pyridin-4-ylbutanoic acid?
2-pyridin-4-ylbutanoic acid has a molecular weight of 165.19 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-ylbutanoic acid is sourced from PubChem (CID 22621922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).