1,2-Dihydropyridin-2-ylmethanol

C6H9NO — CID 5255583

IUPAC1,2-dihydropyridin-2-ylmethanol
SMILESC1=CC(NC=C1)CO
InChIInChI=1S/C6H9NO/c8-5-6-3-1-2-4-7-6/h1-4,6-8H,5H2
InChIKeyYVDJXYGLCXKHFH-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.50
Rot. Bonds1

About 1,2-Dihydropyridin-2-ylmethanol

1,2-Dihydropyridin-2-ylmethanol (PubChem CID 5255583) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 1,2-dihydropyridin-2-ylmethanol.

Molecular Properties

Compound Name1,2-Dihydropyridin-2-ylmethanol
PubChem CID5255583
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name1,2-dihydropyridin-2-ylmethanol
SMILESC1=CC(NC=C1)CO
InChIInChI=1S/C6H9NO/c8-5-6-3-1-2-4-7-6/h1-4,6-8H,5H2
InChIKeyYVDJXYGLCXKHFH-UHFFFAOYSA-N
XLogP0.50
TPSA32.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity118

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-Dihydropyridin-2-ylmethanol?
The IUPAC name of 1,2-Dihydropyridin-2-ylmethanol (CID 5255583) is 1,2-dihydropyridin-2-ylmethanol.
What is the SMILES notation for 1,2-Dihydropyridin-2-ylmethanol?
The canonical SMILES for 1,2-Dihydropyridin-2-ylmethanol is C1=CC(NC=C1)CO.
What is the InChIKey of 1,2-Dihydropyridin-2-ylmethanol?
The InChIKey is YVDJXYGLCXKHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c8-5-6-3-1-2-4-7-6/h1-4,6-8H,5H2.
What are the key properties of 1,2-Dihydropyridin-2-ylmethanol?
1,2-Dihydropyridin-2-ylmethanol has a molecular weight of 111.14 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-Dihydropyridin-2-ylmethanol is sourced from PubChem (CID 5255583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).