(5-iodo-1H-indazol-6-yl)methanol

C8H7IN2O — CID 67069536

IUPAC(5-iodo-1H-indazol-6-yl)methanol
SMILESOCc1cc2[nH]ncc2cc1I
InChIInChI=1S/C8H7IN2O/c9-7-1-5-3-10-11-8(5)2-6(7)4-12/h1-3,12H,4H2,(H,10,11)
InChIKeyJKNFCJCDFNWZBS-UHFFFAOYSA-N
MW274.06 g/mol
LogP1.66
Rot. Bonds1

About (5-iodo-1H-indazol-6-yl)methanol

(5-iodo-1H-indazol-6-yl)methanol (PubChem CID 67069536) has the molecular formula C8H7IN2O and a molecular weight of 274.06 g/mol. Its IUPAC name is (5-iodo-1H-indazol-6-yl)methanol.

Molecular Properties

Compound Name(5-iodo-1H-indazol-6-yl)methanol
PubChem CID67069536
Molecular FormulaC8H7IN2O
Molecular Weight274.06 g/mol
Exact Mass273.96
IUPAC Name(5-iodo-1H-indazol-6-yl)methanol
SMILESOCc1cc2[nH]ncc2cc1I
InChIInChI=1S/C8H7IN2O/c9-7-1-5-3-10-11-8(5)2-6(7)4-12/h1-3,12H,4H2,(H,10,11)
InChIKeyJKNFCJCDFNWZBS-UHFFFAOYSA-N
XLogP1.66
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-iodo-1H-indazol-6-yl)methanol?
The IUPAC name of (5-iodo-1H-indazol-6-yl)methanol (CID 67069536) is (5-iodo-1H-indazol-6-yl)methanol.
What is the SMILES notation for (5-iodo-1H-indazol-6-yl)methanol?
The canonical SMILES for (5-iodo-1H-indazol-6-yl)methanol is OCc1cc2[nH]ncc2cc1I.
What is the InChIKey of (5-iodo-1H-indazol-6-yl)methanol?
The InChIKey is JKNFCJCDFNWZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2O/c9-7-1-5-3-10-11-8(5)2-6(7)4-12/h1-3,12H,4H2,(H,10,11).
What are the key properties of (5-iodo-1H-indazol-6-yl)methanol?
(5-iodo-1H-indazol-6-yl)methanol has a molecular weight of 274.06 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodo-1H-indazol-6-yl)methanol is sourced from PubChem (CID 67069536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).