5-(2-pyridin-2-yl-4-pyridinyl)pentanoic acid

C15H16N2O2 — CID 121355471

IUPAC5-(2-pyridin-2-yl-4-pyridinyl)pentanoic acid
SMILESO=C(O)CCCCc1ccnc(-c2ccccn2)c1
InChIInChI=1S/C15H16N2O2/c18-15(19)7-2-1-5-12-8-10-17-14(11-12)13-6-3-4-9-16-13/h3-4,6,8-11H,1-2,5,7H2,(H,18,19)
InChIKeyQUATVIQZMDLHAH-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.94
Rot. Bonds6

About 5-(2-pyridin-2-yl-4-pyridinyl)pentanoic acid

5-(2-pyridin-2-yl-4-pyridinyl)pentanoic acid (PubChem CID 121355471) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-(2-pyridin-2-yl-4-pyridinyl)pentanoic acid.

Molecular Properties

Compound Name5-(2-pyridin-2-yl-4-pyridinyl)pentanoic acid
PubChem CID121355471
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name5-(2-pyridin-2-yl-4-pyridinyl)pentanoic acid
SMILESO=C(O)CCCCc1ccnc(-c2ccccn2)c1
InChIInChI=1S/C15H16N2O2/c18-15(19)7-2-1-5-12-8-10-17-14(11-12)13-6-3-4-9-16-13/h3-4,6,8-11H,1-2,5,7H2,(H,18,19)
InChIKeyQUATVIQZMDLHAH-UHFFFAOYSA-N
XLogP2.94
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2-pyridin-2-yl-4-pyridinyl)pentanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

dichlororuthenium;2-pyridin-2-ylpyridine;4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid
CID 140718230
7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptanoic acid
CID 121355475
4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid;molecular fluorine;molecular iodine;bis(2-pyridin-2-ylpyridine);ruthenium(1+);tetrafluoro-(tetrafluoro-λ5-phosphanyl)-λ5-phosphane
CID 161329789
N-imidazol-1-yl-11-(2-pyridin-2-yl-4-pyridinyl)undecanamide
CID 101021022
3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid
CID 121355469
5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid
CID 54929886
5-[3-(pyridin-2-ylmethoxy)phenyl]pentanoic acid
CID 139922111
15-phenylpentadecanoic acid
CID 2737151
4-hydroxy-13-[2-[3-[2-[2-[2-(3-pyridin-2-ylphenyl)ethoxy]ethoxy]ethyl]phenyl]-4-pyridinyl]tridec-3-en-2-one
CID 140678940
4-(2,6-dipyridin-2-yl-4-pyridinyl)butan-1-ol
CID 15857587
6-pyridin-4-ylhexanoic acid
CID 12904562
3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoic acid
CID 170630375

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyridin-2-yl-4-pyridinyl)pentanoic acid?
The IUPAC name of 5-(2-pyridin-2-yl-4-pyridinyl)pentanoic acid (CID 121355471) is 5-(2-pyridin-2-yl-4-pyridinyl)pentanoic acid.
What is the SMILES notation for 5-(2-pyridin-2-yl-4-pyridinyl)pentanoic acid?
The canonical SMILES for 5-(2-pyridin-2-yl-4-pyridinyl)pentanoic acid is O=C(O)CCCCc1ccnc(-c2ccccn2)c1.
What is the InChIKey of 5-(2-pyridin-2-yl-4-pyridinyl)pentanoic acid?
The InChIKey is QUATVIQZMDLHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15(19)7-2-1-5-12-8-10-17-14(11-12)13-6-3-4-9-16-13/h3-4,6,8-11H,1-2,5,7H2,(H,18,19).
What are the key properties of 5-(2-pyridin-2-yl-4-pyridinyl)pentanoic acid?
5-(2-pyridin-2-yl-4-pyridinyl)pentanoic acid has a molecular weight of 256.31 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyridin-2-yl-4-pyridinyl)pentanoic acid is sourced from PubChem (CID 121355471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).