[3-(hydroxymethyl)-2,6-dimethyl-4-pyridinyl]methanol

C9H13NO2 — CID 820383

IUPAC[3-(hydroxymethyl)-2,6-dimethyl-4-pyridinyl]methanol
SMILESCc1cc(CO)c(CO)c(C)n1
InChIInChI=1S/C9H13NO2/c1-6-3-8(4-11)9(5-12)7(2)10-6/h3,11-12H,4-5H2,1-2H3
InChIKeyJOZLOBAQECRDQI-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.68
Rot. Bonds2

About [3-(hydroxymethyl)-2,6-dimethyl-4-pyridinyl]methanol

[3-(hydroxymethyl)-2,6-dimethyl-4-pyridinyl]methanol (PubChem CID 820383) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is [3-(hydroxymethyl)-2,6-dimethyl-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-2,6-dimethyl-4-pyridinyl]methanol
PubChem CID820383
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name[3-(hydroxymethyl)-2,6-dimethyl-4-pyridinyl]methanol
SMILESCc1cc(CO)c(CO)c(C)n1
InChIInChI=1S/C9H13NO2/c1-6-3-8(4-11)9(5-12)7(2)10-6/h3,11-12H,4-5H2,1-2H3
InChIKeyJOZLOBAQECRDQI-UHFFFAOYSA-N
XLogP0.68
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-2,6-dimethyl-4-pyridinyl]methanol?
The IUPAC name of [3-(hydroxymethyl)-2,6-dimethyl-4-pyridinyl]methanol (CID 820383) is [3-(hydroxymethyl)-2,6-dimethyl-4-pyridinyl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-2,6-dimethyl-4-pyridinyl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-2,6-dimethyl-4-pyridinyl]methanol is Cc1cc(CO)c(CO)c(C)n1.
What is the InChIKey of [3-(hydroxymethyl)-2,6-dimethyl-4-pyridinyl]methanol?
The InChIKey is JOZLOBAQECRDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6-3-8(4-11)9(5-12)7(2)10-6/h3,11-12H,4-5H2,1-2H3.
What are the key properties of [3-(hydroxymethyl)-2,6-dimethyl-4-pyridinyl]methanol?
[3-(hydroxymethyl)-2,6-dimethyl-4-pyridinyl]methanol has a molecular weight of 167.21 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-2,6-dimethyl-4-pyridinyl]methanol is sourced from PubChem (CID 820383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).