[3-(hydroxymethyl)-2H-indazol-6-yl]methanol

C9H10N2O2 — CID 89075492

IUPAC[3-(hydroxymethyl)-2H-indazol-6-yl]methanol
SMILESOCc1ccc2c(CO)[nH]nc2c1
InChIInChI=1S/C9H10N2O2/c12-4-6-1-2-7-8(3-6)10-11-9(7)5-13/h1-3,12-13H,4-5H2,(H,10,11)
InChIKeyLBUVMOQLLMMFSE-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.55
Rot. Bonds2

About [3-(hydroxymethyl)-2H-indazol-6-yl]methanol

[3-(hydroxymethyl)-2H-indazol-6-yl]methanol (PubChem CID 89075492) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is [3-(hydroxymethyl)-2H-indazol-6-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-2H-indazol-6-yl]methanol
PubChem CID89075492
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name[3-(hydroxymethyl)-2H-indazol-6-yl]methanol
SMILESOCc1ccc2c(CO)[nH]nc2c1
InChIInChI=1S/C9H10N2O2/c12-4-6-1-2-7-8(3-6)10-11-9(7)5-13/h1-3,12-13H,4-5H2,(H,10,11)
InChIKeyLBUVMOQLLMMFSE-UHFFFAOYSA-N
XLogP0.55
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-2H-indazol-6-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)-2H-indazol-6-yl]methanol (CID 89075492) is [3-(hydroxymethyl)-2H-indazol-6-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-2H-indazol-6-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-2H-indazol-6-yl]methanol is OCc1ccc2c(CO)[nH]nc2c1.
What is the InChIKey of [3-(hydroxymethyl)-2H-indazol-6-yl]methanol?
The InChIKey is LBUVMOQLLMMFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c12-4-6-1-2-7-8(3-6)10-11-9(7)5-13/h1-3,12-13H,4-5H2,(H,10,11).
What are the key properties of [3-(hydroxymethyl)-2H-indazol-6-yl]methanol?
[3-(hydroxymethyl)-2H-indazol-6-yl]methanol has a molecular weight of 178.19 g/mol, XLogP of 0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-2H-indazol-6-yl]methanol is sourced from PubChem (CID 89075492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).