2-(hydroxymethyl)-1,2-dihydropyridin-3-ol

C6H9NO2 — CID 86340216

IUPAC2-(hydroxymethyl)-1,2-dihydropyridin-3-ol
SMILESOCC1NC=CC=C1O
InChIInChI=1S/C6H9NO2/c8-4-5-6(9)2-1-3-7-5/h1-3,5,7-9H,4H2
InChIKeyZTUKOZNEPMRZNH-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.09
Rot. Bonds1

About 2-(hydroxymethyl)-1,2-dihydropyridin-3-ol

2-(hydroxymethyl)-1,2-dihydropyridin-3-ol (PubChem CID 86340216) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1,2-dihydropyridin-3-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-1,2-dihydropyridin-3-ol
PubChem CID86340216
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name2-(hydroxymethyl)-1,2-dihydropyridin-3-ol
SMILESOCC1NC=CC=C1O
InChIInChI=1S/C6H9NO2/c8-4-5-6(9)2-1-3-7-5/h1-3,5,7-9H,4H2
InChIKeyZTUKOZNEPMRZNH-UHFFFAOYSA-N
XLogP-0.09
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1,2-dihydropyridin-3-ol?
The IUPAC name of 2-(hydroxymethyl)-1,2-dihydropyridin-3-ol (CID 86340216) is 2-(hydroxymethyl)-1,2-dihydropyridin-3-ol.
What is the SMILES notation for 2-(hydroxymethyl)-1,2-dihydropyridin-3-ol?
The canonical SMILES for 2-(hydroxymethyl)-1,2-dihydropyridin-3-ol is OCC1NC=CC=C1O.
What is the InChIKey of 2-(hydroxymethyl)-1,2-dihydropyridin-3-ol?
The InChIKey is ZTUKOZNEPMRZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c8-4-5-6(9)2-1-3-7-5/h1-3,5,7-9H,4H2.
What are the key properties of 2-(hydroxymethyl)-1,2-dihydropyridin-3-ol?
2-(hydroxymethyl)-1,2-dihydropyridin-3-ol has a molecular weight of 127.14 g/mol, XLogP of -0.09, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1,2-dihydropyridin-3-ol is sourced from PubChem (CID 86340216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).