[1-(hydroxymethyl)-2H-pyridin-3-yl]methanol

C7H11NO2 — CID 89156220

IUPAC[1-(hydroxymethyl)-2H-pyridin-3-yl]methanol
SMILESOCC1=CC=CN(CO)C1
InChIInChI=1S/C7H11NO2/c9-5-7-2-1-3-8(4-7)6-10/h1-3,9-10H,4-6H2
InChIKeySJEHRUIZCVJWGX-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.32
Rot. Bonds2

About [1-(hydroxymethyl)-2H-pyridin-3-yl]methanol

[1-(hydroxymethyl)-2H-pyridin-3-yl]methanol (PubChem CID 89156220) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is [1-(hydroxymethyl)-2H-pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-(hydroxymethyl)-2H-pyridin-3-yl]methanol
PubChem CID89156220
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name[1-(hydroxymethyl)-2H-pyridin-3-yl]methanol
SMILESOCC1=CC=CN(CO)C1
InChIInChI=1S/C7H11NO2/c9-5-7-2-1-3-8(4-7)6-10/h1-3,9-10H,4-6H2
InChIKeySJEHRUIZCVJWGX-UHFFFAOYSA-N
XLogP-0.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)-2H-pyridin-3-yl]methanol?
The IUPAC name of [1-(hydroxymethyl)-2H-pyridin-3-yl]methanol (CID 89156220) is [1-(hydroxymethyl)-2H-pyridin-3-yl]methanol.
What is the SMILES notation for [1-(hydroxymethyl)-2H-pyridin-3-yl]methanol?
The canonical SMILES for [1-(hydroxymethyl)-2H-pyridin-3-yl]methanol is OCC1=CC=CN(CO)C1.
What is the InChIKey of [1-(hydroxymethyl)-2H-pyridin-3-yl]methanol?
The InChIKey is SJEHRUIZCVJWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-5-7-2-1-3-8(4-7)6-10/h1-3,9-10H,4-6H2.
What are the key properties of [1-(hydroxymethyl)-2H-pyridin-3-yl]methanol?
[1-(hydroxymethyl)-2H-pyridin-3-yl]methanol has a molecular weight of 141.17 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)-2H-pyridin-3-yl]methanol is sourced from PubChem (CID 89156220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).