3-iodo-1-methylindazol-6-ol

C8H7IN2O — CID 136948963

IUPAC3-iodo-1-methylindazol-6-ol
SMILESCn1nc(I)c2ccc(O)cc21
InChIInChI=1S/C8H7IN2O/c1-11-7-4-5(12)2-3-6(7)8(9)10-11/h2-4,12H,1H3
InChIKeyOQXIRSIECSBLQZ-UHFFFAOYSA-N
MW274.06 g/mol
LogP1.88
Rot. Bonds

About 3-iodo-1-methylindazol-6-ol

3-iodo-1-methylindazol-6-ol (PubChem CID 136948963) has the molecular formula C8H7IN2O and a molecular weight of 274.06 g/mol. Its IUPAC name is 3-iodo-1-methylindazol-6-ol.

Molecular Properties

Compound Name3-iodo-1-methylindazol-6-ol
PubChem CID136948963
Molecular FormulaC8H7IN2O
Molecular Weight274.06 g/mol
Exact Mass273.96
IUPAC Name3-iodo-1-methylindazol-6-ol
SMILESCn1nc(I)c2ccc(O)cc21
InChIInChI=1S/C8H7IN2O/c1-11-7-4-5(12)2-3-6(7)8(9)10-11/h2-4,12H,1H3
InChIKeyOQXIRSIECSBLQZ-UHFFFAOYSA-N
XLogP1.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-methylindazol-6-ol?
The IUPAC name of 3-iodo-1-methylindazol-6-ol (CID 136948963) is 3-iodo-1-methylindazol-6-ol.
What is the SMILES notation for 3-iodo-1-methylindazol-6-ol?
The canonical SMILES for 3-iodo-1-methylindazol-6-ol is Cn1nc(I)c2ccc(O)cc21.
What is the InChIKey of 3-iodo-1-methylindazol-6-ol?
The InChIKey is OQXIRSIECSBLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2O/c1-11-7-4-5(12)2-3-6(7)8(9)10-11/h2-4,12H,1H3.
What are the key properties of 3-iodo-1-methylindazol-6-ol?
3-iodo-1-methylindazol-6-ol has a molecular weight of 274.06 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-methylindazol-6-ol is sourced from PubChem (CID 136948963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).