8-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]octanoic acid

C19H24N2O2 — CID 121355478

IUPAC8-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]octanoic acid
SMILESCc1ccnc(-c2cc(CCCCCCCC(=O)O)ccn2)c1
InChIInChI=1S/C19H24N2O2/c1-15-9-11-20-17(13-15)18-14-16(10-12-21-18)7-5-3-2-4-6-8-19(22)23/h9-14H,2-8H2,1H3,(H,22,23)
InChIKeyIGFXGUXSVLOUDZ-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.42
Rot. Bonds9

About 8-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]octanoic acid

8-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]octanoic acid (PubChem CID 121355478) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 8-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]octanoic acid.

Molecular Properties

Compound Name8-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]octanoic acid
PubChem CID121355478
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name8-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]octanoic acid
SMILESCc1ccnc(-c2cc(CCCCCCCC(=O)O)ccn2)c1
InChIInChI=1S/C19H24N2O2/c1-15-9-11-20-17(13-15)18-14-16(10-12-21-18)7-5-3-2-4-6-8-19(22)23/h9-14H,2-8H2,1H3,(H,22,23)
InChIKeyIGFXGUXSVLOUDZ-UHFFFAOYSA-N
XLogP4.42
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]octanoic 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 8-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]octanoic acid?
The IUPAC name of 8-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]octanoic acid (CID 121355478) is 8-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]octanoic acid.
What is the SMILES notation for 8-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]octanoic acid?
The canonical SMILES for 8-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]octanoic acid is Cc1ccnc(-c2cc(CCCCCCCC(=O)O)ccn2)c1.
What is the InChIKey of 8-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]octanoic acid?
The InChIKey is IGFXGUXSVLOUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15-9-11-20-17(13-15)18-14-16(10-12-21-18)7-5-3-2-4-6-8-19(22)23/h9-14H,2-8H2,1H3,(H,22,23).
What are the key properties of 8-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]octanoic acid?
8-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]octanoic acid has a molecular weight of 312.41 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]octanoic acid is sourced from PubChem (CID 121355478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).