5-(difluoromethoxy)-3-iodo-1-methylindazole

C9H7F2IN2O — CID 71279544

IUPAC5-(difluoromethoxy)-3-iodo-1-methylindazole
SMILESCn1nc(I)c2cc(OC(F)F)ccc21
InChIInChI=1S/C9H7F2IN2O/c1-14-7-3-2-5(15-9(10)11)4-6(7)8(12)13-14/h2-4,9H,1H3
InChIKeyWIJXTJZRBVTXKX-UHFFFAOYSA-N
MW324.07 g/mol
LogP2.78
Rot. Bonds2

About 5-(difluoromethoxy)-3-iodo-1-methylindazole

5-(difluoromethoxy)-3-iodo-1-methylindazole (PubChem CID 71279544) has the molecular formula C9H7F2IN2O and a molecular weight of 324.07 g/mol. Its IUPAC name is 5-(difluoromethoxy)-3-iodo-1-methylindazole.

Molecular Properties

Compound Name5-(difluoromethoxy)-3-iodo-1-methylindazole
PubChem CID71279544
Molecular FormulaC9H7F2IN2O
Molecular Weight324.07 g/mol
Exact Mass323.96
IUPAC Name5-(difluoromethoxy)-3-iodo-1-methylindazole
SMILESCn1nc(I)c2cc(OC(F)F)ccc21
InChIInChI=1S/C9H7F2IN2O/c1-14-7-3-2-5(15-9(10)11)4-6(7)8(12)13-14/h2-4,9H,1H3
InChIKeyWIJXTJZRBVTXKX-UHFFFAOYSA-N
XLogP2.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.07
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(difluoromethoxy)-1-methylindazol-3-amine
CID 57476554
5-(difluoromethoxy)-1-methylindazole
CID 141364933
5-cyclopropyl-3-iodo-1-methylindazole
CID 118990677
5-(difluoromethoxy)-1-sulfanylbenzimidazole
CID 69261617
5-methoxy-1-methylindazole-3-carboxylic acid
CID 45141403
7-(difluoromethoxy)-1-fluoro-3-methylnaphthalene
CID 58839694
5-(difluoromethoxy)-1-[2-(1,3-dioxan-2-yl)ethyl]-3-ethylindazole
CID 123683953
4-chloro-6-(difluoromethoxy)-3-iodoquinoline
CID 102613994
6-(difluoromethoxy)-1-ethylindol-3-amine
CID 70844592
2,7-bis(difluoromethoxy)naphthalene
CID 119024038
2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
CID 86677976
2-tert-butyl-6-(difluoromethoxy)quinolin-4-amine
CID 62196438

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-3-iodo-1-methylindazole?
The IUPAC name of 5-(difluoromethoxy)-3-iodo-1-methylindazole (CID 71279544) is 5-(difluoromethoxy)-3-iodo-1-methylindazole.
What is the SMILES notation for 5-(difluoromethoxy)-3-iodo-1-methylindazole?
The canonical SMILES for 5-(difluoromethoxy)-3-iodo-1-methylindazole is Cn1nc(I)c2cc(OC(F)F)ccc21.
What is the InChIKey of 5-(difluoromethoxy)-3-iodo-1-methylindazole?
The InChIKey is WIJXTJZRBVTXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2IN2O/c1-14-7-3-2-5(15-9(10)11)4-6(7)8(12)13-14/h2-4,9H,1H3.
What are the key properties of 5-(difluoromethoxy)-3-iodo-1-methylindazole?
5-(difluoromethoxy)-3-iodo-1-methylindazole has a molecular weight of 324.07 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-3-iodo-1-methylindazole is sourced from PubChem (CID 71279544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).