4-fluoro-5-iodo-1-methylindazole

C8H6FIN2 — CID 176891640

IUPAC4-fluoro-5-iodo-1-methylindazole
SMILESCn1ncc2c(F)c(I)ccc21
InChIInChI=1S/C8H6FIN2/c1-12-7-3-2-6(10)8(9)5(7)4-11-12/h2-4H,1H3
InChIKeyMRHPNUIPPNLNDV-UHFFFAOYSA-N
MW276.05 g/mol
LogP2.32
Rot. Bonds

About 4-fluoro-5-iodo-1-methylindazole

4-fluoro-5-iodo-1-methylindazole (PubChem CID 176891640) has the molecular formula C8H6FIN2 and a molecular weight of 276.05 g/mol. Its IUPAC name is 4-fluoro-5-iodo-1-methylindazole.

Molecular Properties

Compound Name4-fluoro-5-iodo-1-methylindazole
PubChem CID176891640
Molecular FormulaC8H6FIN2
Molecular Weight276.05 g/mol
Exact Mass275.96
IUPAC Name4-fluoro-5-iodo-1-methylindazole
SMILESCn1ncc2c(F)c(I)ccc21
InChIInChI=1S/C8H6FIN2/c1-12-7-3-2-6(10)8(9)5(7)4-11-12/h2-4H,1H3
InChIKeyMRHPNUIPPNLNDV-UHFFFAOYSA-N
XLogP2.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.05
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-1-methylindazol-5-amine
CID 84652063
1,4-dimethylindazol-5-ol
CID 121228794
methyl 2-[(4-fluoro-1-methylindazol-5-yl)amino]propanoate
CID 177288541
2-(4-fluoro-1-methylindazol-5-yl)-2,4-diazabicyclo[3.1.0]hexan-3-one
CID 176891647
4-iodo-1-methylindazol-6-ol
CID 137315879
4-methoxy-1,5-dimethylindazole
CID 170279766
4-chloro-1-methylindazol-5-amine
CID 84658253
2,2,2-trifluoro-N-(4-iodo-1-methylindazol-5-yl)acetamide
CID 139336473
4-fluoro-5-iodo-1,2-dimethylbenzimidazole
CID 162381268
4-ethyl-1,5-dimethylindazole
CID 176690635
4-tert-butyl-1,5-dimethylindazole
CID 138655344
4-(fluoromethyl)-1-methylindazole
CID 84651809

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-1-methylindazole?
The IUPAC name of 4-fluoro-5-iodo-1-methylindazole (CID 176891640) is 4-fluoro-5-iodo-1-methylindazole.
What is the SMILES notation for 4-fluoro-5-iodo-1-methylindazole?
The canonical SMILES for 4-fluoro-5-iodo-1-methylindazole is Cn1ncc2c(F)c(I)ccc21.
What is the InChIKey of 4-fluoro-5-iodo-1-methylindazole?
The InChIKey is MRHPNUIPPNLNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FIN2/c1-12-7-3-2-6(10)8(9)5(7)4-11-12/h2-4H,1H3.
What are the key properties of 4-fluoro-5-iodo-1-methylindazole?
4-fluoro-5-iodo-1-methylindazole has a molecular weight of 276.05 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-iodo-1-methylindazole is sourced from PubChem (CID 176891640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).