4-iodo-1-methylindazol-6-ol

C8H7IN2O — CID 137315879

IUPAC4-iodo-1-methylindazol-6-ol
SMILESCn1ncc2c(I)cc(O)cc21
InChIInChI=1S/C8H7IN2O/c1-11-8-3-5(12)2-7(9)6(8)4-10-11/h2-4,12H,1H3
InChIKeyTVQRXCCSNZNTCZ-UHFFFAOYSA-N
MW274.06 g/mol
LogP1.88
Rot. Bonds

About 4-iodo-1-methylindazol-6-ol

4-iodo-1-methylindazol-6-ol (PubChem CID 137315879) has the molecular formula C8H7IN2O and a molecular weight of 274.06 g/mol. Its IUPAC name is 4-iodo-1-methylindazol-6-ol.

Molecular Properties

Compound Name4-iodo-1-methylindazol-6-ol
PubChem CID137315879
Molecular FormulaC8H7IN2O
Molecular Weight274.06 g/mol
Exact Mass273.96
IUPAC Name4-iodo-1-methylindazol-6-ol
SMILESCn1ncc2c(I)cc(O)cc21
InChIInChI=1S/C8H7IN2O/c1-11-8-3-5(12)2-7(9)6(8)4-10-11/h2-4,12H,1H3
InChIKeyTVQRXCCSNZNTCZ-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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Related Compounds

1-methyl-4-phenylindazol-6-ol
CID 162529467
3-iodo-1-methylindazol-6-ol
CID 136948963
4-fluoro-5-iodo-1-methylindazole
CID 176891640
1-methylpyrazolo[3,4-c]pyridin-4-ol
CID 137437597
1,4-dimethylindazol-5-ol
CID 121228794
6-chloro-4-fluoro-1-methylindazole
CID 141365028
4-bromo-1-methyl-6-nitroindazole
CID 130925047
1,5-dimethylindazol-6-ol
CID 137082746
6-bromo-1-methylindazole-4-carbonitrile
CID 66692316
4-(6-hydroxy-1-methylindazol-3-yl)benzene-1,3-diol
CID 135454762
2,2,2-trifluoro-N-(4-iodo-1-methylindazol-5-yl)acetamide
CID 139336473
CID 170960189
CID 170960189

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-methylindazol-6-ol?
The IUPAC name of 4-iodo-1-methylindazol-6-ol (CID 137315879) is 4-iodo-1-methylindazol-6-ol.
What is the SMILES notation for 4-iodo-1-methylindazol-6-ol?
The canonical SMILES for 4-iodo-1-methylindazol-6-ol is Cn1ncc2c(I)cc(O)cc21.
What is the InChIKey of 4-iodo-1-methylindazol-6-ol?
The InChIKey is TVQRXCCSNZNTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2O/c1-11-8-3-5(12)2-7(9)6(8)4-10-11/h2-4,12H,1H3.
What are the key properties of 4-iodo-1-methylindazol-6-ol?
4-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 4-iodo-1-methylindazol-6-ol is sourced from PubChem (CID 137315879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).