2-(1,2-dihydropyridin-2-yl)ethanol

C7H11NO — CID 6394343

IUPAC2-(1,2-dihydropyridin-2-yl)ethanol
SMILESOCCC1C=CC=CN1
InChIInChI=1S/C7H11NO/c9-6-4-7-3-1-2-5-8-7/h1-3,5,7-9H,4,6H2
InChIKeyAKFKUPNCTKPNPN-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.41
Rot. Bonds2

About 2-(1,2-dihydropyridin-2-yl)ethanol

2-(1,2-dihydropyridin-2-yl)ethanol (PubChem CID 6394343) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-(1,2-dihydropyridin-2-yl)ethanol.

Molecular Properties

Compound Name2-(1,2-dihydropyridin-2-yl)ethanol
PubChem CID6394343
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-(1,2-dihydropyridin-2-yl)ethanol
SMILESOCCC1C=CC=CN1
InChIInChI=1S/C7H11NO/c9-6-4-7-3-1-2-5-8-7/h1-3,5,7-9H,4,6H2
InChIKeyAKFKUPNCTKPNPN-UHFFFAOYSA-N
XLogP0.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1,2-dihydropyridin-2-yl)ethanol 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-(1,2-dihydropyridin-2-yl)ethanol?
The IUPAC name of 2-(1,2-dihydropyridin-2-yl)ethanol (CID 6394343) is 2-(1,2-dihydropyridin-2-yl)ethanol.
What is the SMILES notation for 2-(1,2-dihydropyridin-2-yl)ethanol?
The canonical SMILES for 2-(1,2-dihydropyridin-2-yl)ethanol is OCCC1C=CC=CN1.
What is the InChIKey of 2-(1,2-dihydropyridin-2-yl)ethanol?
The InChIKey is AKFKUPNCTKPNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c9-6-4-7-3-1-2-5-8-7/h1-3,5,7-9H,4,6H2.
What are the key properties of 2-(1,2-dihydropyridin-2-yl)ethanol?
2-(1,2-dihydropyridin-2-yl)ethanol has a molecular weight of 125.17 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydropyridin-2-yl)ethanol is sourced from PubChem (CID 6394343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).