2-(pyridin-3-ylmethyl)decanoic acid

C16H25NO2 — CID 139906177

IUPAC2-(pyridin-3-ylmethyl)decanoic acid
SMILESCCCCCCCCC(Cc1cccnc1)C(=O)O
InChIInChI=1S/C16H25NO2/c1-2-3-4-5-6-7-10-15(16(18)19)12-14-9-8-11-17-13-14/h8-9,11,13,15H,2-7,10,12H2,1H3,(H,18,19)
InChIKeyNDYZLELNJUZNGM-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.08
Rot. Bonds10

About 2-(pyridin-3-ylmethyl)decanoic acid

2-(pyridin-3-ylmethyl)decanoic acid (PubChem CID 139906177) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethyl)decanoic acid.

Molecular Properties

Compound Name2-(pyridin-3-ylmethyl)decanoic acid
PubChem CID139906177
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(pyridin-3-ylmethyl)decanoic acid
SMILESCCCCCCCCC(Cc1cccnc1)C(=O)O
InChIInChI=1S/C16H25NO2/c1-2-3-4-5-6-7-10-15(16(18)19)12-14-9-8-11-17-13-14/h8-9,11,13,15H,2-7,10,12H2,1H3,(H,18,19)
InChIKeyNDYZLELNJUZNGM-UHFFFAOYSA-N
XLogP4.08
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(pyridin-3-ylmethyl)decanoic 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

2-benzyldodecanoic acid
CID 14250629
3-(2-hexyloctyl)pyridine
CID 167277838
1-pyridin-3-ylundecan-2-amine
CID 62603230
N-methyl-1-pyridin-3-yldodecan-2-amine
CID 63416247
2-[(4-chlorophenyl)methyl]tetradecanoic acid
CID 175281665
2-[(3-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid
CID 79418956
methyl 2-(pyridin-3-ylmethyl)pentanoate
CID 174237588
1-pyridin-3-ylundecan-3-ol
CID 105085819
N-propyl-1-pyridin-3-yldecan-2-amine
CID 63416378
2-[(2-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid
CID 79418162
2-[(2-chlorophenyl)methyl]octanoic acid
CID 60793381
1-pyridin-3-yldecan-2-one
CID 62621024

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethyl)decanoic acid?
The IUPAC name of 2-(pyridin-3-ylmethyl)decanoic acid (CID 139906177) is 2-(pyridin-3-ylmethyl)decanoic acid.
What is the SMILES notation for 2-(pyridin-3-ylmethyl)decanoic acid?
The canonical SMILES for 2-(pyridin-3-ylmethyl)decanoic acid is CCCCCCCCC(Cc1cccnc1)C(=O)O.
What is the InChIKey of 2-(pyridin-3-ylmethyl)decanoic acid?
The InChIKey is NDYZLELNJUZNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-3-4-5-6-7-10-15(16(18)19)12-14-9-8-11-17-13-14/h8-9,11,13,15H,2-7,10,12H2,1H3,(H,18,19).
What are the key properties of 2-(pyridin-3-ylmethyl)decanoic acid?
2-(pyridin-3-ylmethyl)decanoic acid has a molecular weight of 263.38 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethyl)decanoic acid is sourced from PubChem (CID 139906177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).