4-bromo-1-(difluoromethyl)-6-iodoindazole

C8H4BrF2IN2 — CID 171590316

IUPAC4-bromo-1-(difluoromethyl)-6-iodoindazole
SMILESFC(F)n1ncc2c(Br)cc(I)cc21
InChIInChI=1S/C8H4BrF2IN2/c9-6-1-4(12)2-7-5(6)3-13-14(7)8(10)11/h1-3,8H
InChIKeyQCRIRVSGLSFKNH-UHFFFAOYSA-N
MW372.94 g/mol
LogP3.80
Rot. Bonds1

About 4-bromo-1-(difluoromethyl)-6-iodoindazole

4-bromo-1-(difluoromethyl)-6-iodoindazole (PubChem CID 171590316) has the molecular formula C8H4BrF2IN2 and a molecular weight of 372.94 g/mol. Its IUPAC name is 4-bromo-1-(difluoromethyl)-6-iodoindazole.

Molecular Properties

Compound Name4-bromo-1-(difluoromethyl)-6-iodoindazole
PubChem CID171590316
Molecular FormulaC8H4BrF2IN2
Molecular Weight372.94 g/mol
Exact Mass371.86
IUPAC Name4-bromo-1-(difluoromethyl)-6-iodoindazole
SMILESFC(F)n1ncc2c(Br)cc(I)cc21
InChIInChI=1S/C8H4BrF2IN2/c9-6-1-4(12)2-7-5(6)3-13-14(7)8(10)11/h1-3,8H
InChIKeyQCRIRVSGLSFKNH-UHFFFAOYSA-N
XLogP3.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.94
LogP ≤ 53.80
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

1-(difluoromethyl)-4-methylindazol-6-amine
CID 90308990
4-bromo-1-propan-2-ylindazole
CID 84727907
[1-(difluoromethyl)indazol-6-yl]methanol
CID 163230657
1-(difluoromethyl)-6-ethylindazole
CID 146208795
4-bromo-1-(difluoromethyl)-5-(4-methoxyphenyl)pyrazole
CID 171075985
5-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole
CID 171842535
4-chloro-1-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 164860378
4-bromo-6-oxido-1-(1-phenylpropyl)pyrazolo[3,4-c]pyridin-6-ium
CID 123822215
1-(difluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 154123352
5-bromo-1-(difluoromethyl)-3-[(5-iodopyrazol-1-yl)methyl]pyrazole
CID 166560262
1,3-dibromo-2-(bromomethyl)-5-iodobenzene
CID 69164678
4-bromo-6-fluoro-1-methylsulfonylindazole;ethane
CID 153394747

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(difluoromethyl)-6-iodoindazole?
The IUPAC name of 4-bromo-1-(difluoromethyl)-6-iodoindazole (CID 171590316) is 4-bromo-1-(difluoromethyl)-6-iodoindazole.
What is the SMILES notation for 4-bromo-1-(difluoromethyl)-6-iodoindazole?
The canonical SMILES for 4-bromo-1-(difluoromethyl)-6-iodoindazole is FC(F)n1ncc2c(Br)cc(I)cc21.
What is the InChIKey of 4-bromo-1-(difluoromethyl)-6-iodoindazole?
The InChIKey is QCRIRVSGLSFKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF2IN2/c9-6-1-4(12)2-7-5(6)3-13-14(7)8(10)11/h1-3,8H.
What are the key properties of 4-bromo-1-(difluoromethyl)-6-iodoindazole?
4-bromo-1-(difluoromethyl)-6-iodoindazole has a molecular weight of 372.94 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(difluoromethyl)-6-iodoindazole is sourced from PubChem (CID 171590316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).