[6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol

C7H11NO2 — CID 5246439

IUPAC[6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol
SMILESOCC1=CC=CC(CO)N1
InChIInChI=1S/C7H11NO2/c9-4-6-2-1-3-7(5-10)8-6/h1-3,6,8-10H,4-5H2
InChIKeyNASZUHIXPQHAPB-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.62
Rot. Bonds2

About [6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol

[6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol (PubChem CID 5246439) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is [6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol.

Molecular Properties

Compound Name[6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol
PubChem CID5246439
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name[6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol
SMILESOCC1=CC=CC(CO)N1
InChIInChI=1S/C7H11NO2/c9-4-6-2-1-3-7(5-10)8-6/h1-3,6,8-10H,4-5H2
InChIKeyNASZUHIXPQHAPB-UHFFFAOYSA-N
XLogP-0.62
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol 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 [6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol?
The IUPAC name of [6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol (CID 5246439) is [6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol.
What is the SMILES notation for [6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol?
The canonical SMILES for [6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol is OCC1=CC=CC(CO)N1.
What is the InChIKey of [6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol?
The InChIKey is NASZUHIXPQHAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-4-6-2-1-3-7(5-10)8-6/h1-3,6,8-10H,4-5H2.
What are the key properties of [6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol?
[6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol has a molecular weight of 141.17 g/mol, XLogP of -0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol is sourced from PubChem (CID 5246439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).