2-(hydroxymethyl)-2-methyl-1H-pyridin-3-ol

C7H11NO2 — CID 68754568

IUPAC2-(hydroxymethyl)-2-methyl-1H-pyridin-3-ol
SMILESCC1(CO)NC=CC=C1O
InChIInChI=1S/C7H11NO2/c1-7(5-9)6(10)3-2-4-8-7/h2-4,8-10H,5H2,1H3
InChIKeyQKOGPTMDCNHQLJ-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.30
Rot. Bonds1

About 2-(hydroxymethyl)-2-methyl-1H-pyridin-3-ol

2-(hydroxymethyl)-2-methyl-1H-pyridin-3-ol (PubChem CID 68754568) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-methyl-1H-pyridin-3-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-methyl-1H-pyridin-3-ol
PubChem CID68754568
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-(hydroxymethyl)-2-methyl-1H-pyridin-3-ol
SMILESCC1(CO)NC=CC=C1O
InChIInChI=1S/C7H11NO2/c1-7(5-9)6(10)3-2-4-8-7/h2-4,8-10H,5H2,1H3
InChIKeyQKOGPTMDCNHQLJ-UHFFFAOYSA-N
XLogP0.30
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-methyl-1H-pyridin-3-ol?
The IUPAC name of 2-(hydroxymethyl)-2-methyl-1H-pyridin-3-ol (CID 68754568) is 2-(hydroxymethyl)-2-methyl-1H-pyridin-3-ol.
What is the SMILES notation for 2-(hydroxymethyl)-2-methyl-1H-pyridin-3-ol?
The canonical SMILES for 2-(hydroxymethyl)-2-methyl-1H-pyridin-3-ol is CC1(CO)NC=CC=C1O.
What is the InChIKey of 2-(hydroxymethyl)-2-methyl-1H-pyridin-3-ol?
The InChIKey is QKOGPTMDCNHQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-7(5-9)6(10)3-2-4-8-7/h2-4,8-10H,5H2,1H3.
What are the key properties of 2-(hydroxymethyl)-2-methyl-1H-pyridin-3-ol?
2-(hydroxymethyl)-2-methyl-1H-pyridin-3-ol has a molecular weight of 141.17 g/mol, XLogP of 0.30, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-methyl-1H-pyridin-3-ol is sourced from PubChem (CID 68754568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).