13-pyridin-3-yltridecan-1-ol

C18H31NO — CID 11747857

IUPAC13-pyridin-3-yltridecan-1-ol
SMILESOCCCCCCCCCCCCCc1cccnc1
InChIInChI=1S/C18H31NO/c20-16-11-9-7-5-3-1-2-4-6-8-10-13-18-14-12-15-19-17-18/h12,14-15,17,20H,1-11,13,16H2
InChIKeySAHJYCMEMRPITN-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.91
Rot. Bonds13

About 13-pyridin-3-yltridecan-1-ol

13-pyridin-3-yltridecan-1-ol (PubChem CID 11747857) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 13-pyridin-3-yltridecan-1-ol.

Molecular Properties

Compound Name13-pyridin-3-yltridecan-1-ol
PubChem CID11747857
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name13-pyridin-3-yltridecan-1-ol
SMILESOCCCCCCCCCCCCCc1cccnc1
InChIInChI=1S/C18H31NO/c20-16-11-9-7-5-3-1-2-4-6-8-10-13-18-14-12-15-19-17-18/h12,14-15,17,20H,1-11,13,16H2
InChIKeySAHJYCMEMRPITN-UHFFFAOYSA-N
XLogP4.91
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 13-pyridin-3-yltridecan-1-ol 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 13-pyridin-3-yltridecan-1-ol?
The IUPAC name of 13-pyridin-3-yltridecan-1-ol (CID 11747857) is 13-pyridin-3-yltridecan-1-ol.
What is the SMILES notation for 13-pyridin-3-yltridecan-1-ol?
The canonical SMILES for 13-pyridin-3-yltridecan-1-ol is OCCCCCCCCCCCCCc1cccnc1.
What is the InChIKey of 13-pyridin-3-yltridecan-1-ol?
The InChIKey is SAHJYCMEMRPITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c20-16-11-9-7-5-3-1-2-4-6-8-10-13-18-14-12-15-19-17-18/h12,14-15,17,20H,1-11,13,16H2.
What are the key properties of 13-pyridin-3-yltridecan-1-ol?
13-pyridin-3-yltridecan-1-ol has a molecular weight of 277.45 g/mol, XLogP of 4.91, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-pyridin-3-yltridecan-1-ol is sourced from PubChem (CID 11747857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).