2-(difluoromethyl)-3-iodoindazole

C8H5F2IN2 — CID 135039813

IUPAC2-(difluoromethyl)-3-iodoindazole
SMILESFC(F)n1nc2ccccc2c1I
InChIInChI=1S/C8H5F2IN2/c9-8(10)13-7(11)5-3-1-2-4-6(5)12-13/h1-4,8H
InChIKeyDOPDWMPRONJPFY-UHFFFAOYSA-N
MW294.04 g/mol
LogP3.04
Rot. Bonds1

About 2-(difluoromethyl)-3-iodoindazole

2-(difluoromethyl)-3-iodoindazole (PubChem CID 135039813) has the molecular formula C8H5F2IN2 and a molecular weight of 294.04 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-iodoindazole.

Molecular Properties

Compound Name2-(difluoromethyl)-3-iodoindazole
PubChem CID135039813
Molecular FormulaC8H5F2IN2
Molecular Weight294.04 g/mol
Exact Mass293.95
IUPAC Name2-(difluoromethyl)-3-iodoindazole
SMILESFC(F)n1nc2ccccc2c1I
InChIInChI=1S/C8H5F2IN2/c9-8(10)13-7(11)5-3-1-2-4-6(5)12-13/h1-4,8H
InChIKeyDOPDWMPRONJPFY-UHFFFAOYSA-N
XLogP3.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.04
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(difluoromethyl)-3-iodoindazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-1H-indazole
CID 797066
3-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]-7-(trifluoromethyl)-2H-indazole
CID 25113722
2-Benzyl-3-phenyl-7-(trifluoromethyl)-2H-indazole
CID 25137977
3-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)-2H-indazole
CID 25137980
1-Methyl-1H-indazole
CID 139456
3-(1H-indazol-1-yl)propanenitrile
CID 3244150
2H-Indazole, 2-(3-fluorophenyl)-
CID 3067340
2,3-dimethyl-2H-indazol-6-amine
CID 11542827
1-(2,2-Difluoroethyl)-3-phenylindazole
CID 118568941
3-Phenyl-1-(2,2,2-trifluoroethyl)indazole
CID 118568942
4-p-Tolyl-7-trifluoromethyl-1,2-dihydro-3,9,9a-triaza-fluorene
CID 25161740
2-Methyl-2H-indazole
CID 138364

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-iodoindazole?
The IUPAC name of 2-(difluoromethyl)-3-iodoindazole (CID 135039813) is 2-(difluoromethyl)-3-iodoindazole.
What is the SMILES notation for 2-(difluoromethyl)-3-iodoindazole?
The canonical SMILES for 2-(difluoromethyl)-3-iodoindazole is FC(F)n1nc2ccccc2c1I.
What is the InChIKey of 2-(difluoromethyl)-3-iodoindazole?
The InChIKey is DOPDWMPRONJPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2IN2/c9-8(10)13-7(11)5-3-1-2-4-6(5)12-13/h1-4,8H.
What are the key properties of 2-(difluoromethyl)-3-iodoindazole?
2-(difluoromethyl)-3-iodoindazole has a molecular weight of 294.04 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-iodoindazole is sourced from PubChem (CID 135039813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).