2-(1,2-dihydropyridin-6-yl)ethanol

C7H11NO — CID 67962663

IUPAC2-(1,2-dihydropyridin-6-yl)ethanol
SMILESOCCC1=CC=CCN1
InChIInChI=1S/C7H11NO/c9-6-4-7-3-1-2-5-8-7/h1-3,8-9H,4-6H2
InChIKeyVXZCFNHWJNQJKZ-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.41
Rot. Bonds2

About 2-(1,2-dihydropyridin-6-yl)ethanol

2-(1,2-dihydropyridin-6-yl)ethanol (PubChem CID 67962663) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-(1,2-dihydropyridin-6-yl)ethanol.

Molecular Properties

Compound Name2-(1,2-dihydropyridin-6-yl)ethanol
PubChem CID67962663
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-(1,2-dihydropyridin-6-yl)ethanol
SMILESOCCC1=CC=CCN1
InChIInChI=1S/C7H11NO/c9-6-4-7-3-1-2-5-8-7/h1-3,8-9H,4-6H2
InChIKeyVXZCFNHWJNQJKZ-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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydropyridin-6-yl)ethanol?
The IUPAC name of 2-(1,2-dihydropyridin-6-yl)ethanol (CID 67962663) is 2-(1,2-dihydropyridin-6-yl)ethanol.
What is the SMILES notation for 2-(1,2-dihydropyridin-6-yl)ethanol?
The canonical SMILES for 2-(1,2-dihydropyridin-6-yl)ethanol is OCCC1=CC=CCN1.
What is the InChIKey of 2-(1,2-dihydropyridin-6-yl)ethanol?
The InChIKey is VXZCFNHWJNQJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c9-6-4-7-3-1-2-5-8-7/h1-3,8-9H,4-6H2.
What are the key properties of 2-(1,2-dihydropyridin-6-yl)ethanol?
2-(1,2-dihydropyridin-6-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-6-yl)ethanol is sourced from PubChem (CID 67962663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).