7-iodo-1-methyl-6-propan-2-ylindazole

C11H13IN2 — CID 118097493

IUPAC7-iodo-1-methyl-6-propan-2-ylindazole
SMILESCC(C)c1ccc2cnn(C)c2c1I
InChIInChI=1S/C11H13IN2/c1-7(2)9-5-4-8-6-13-14(3)11(8)10(9)12/h4-7H,1-3H3
InChIKeyDDDRCQBVYKDKDL-UHFFFAOYSA-N
MW300.14 g/mol
LogP3.30
Rot. Bonds1

About 7-iodo-1-methyl-6-propan-2-ylindazole

7-iodo-1-methyl-6-propan-2-ylindazole (PubChem CID 118097493) has the molecular formula C11H13IN2 and a molecular weight of 300.14 g/mol. Its IUPAC name is 7-iodo-1-methyl-6-propan-2-ylindazole.

Molecular Properties

Compound Name7-iodo-1-methyl-6-propan-2-ylindazole
PubChem CID118097493
Molecular FormulaC11H13IN2
Molecular Weight300.14 g/mol
Exact Mass300.01
IUPAC Name7-iodo-1-methyl-6-propan-2-ylindazole
SMILESCC(C)c1ccc2cnn(C)c2c1I
InChIInChI=1S/C11H13IN2/c1-7(2)9-5-4-8-6-13-14(3)11(8)10(9)12/h4-7H,1-3H3
InChIKeyDDDRCQBVYKDKDL-UHFFFAOYSA-N
XLogP3.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-iodo-1-methyl-6-propan-2-ylindazole 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

6-fluoro-1,7-dimethylindazole
CID 83381543
7-chloro-1-methylindazole-6-carbaldehyde
CID 117109713
1-methyl-7-methylsulfanylindazole
CID 146208796
methane;1-methyl-7-(2-methylpropyl)indazole
CID 178017259
7-bromo-6-methoxy-1-methylindazole
CID 171662295
6-fluoro-1-methyl-7-(4-propan-2-ylcyclohexyl)indazole
CID 176552604
1,6-dimethyl-7-nitroindazole
CID 170964555
N-methyl-1-(1-methylindazol-7-yl)propan-2-amine
CID 84721641
1,6-dimethyl-5-propan-2-ylindazole
CID 58371579
5-chloro-7-iodo-1-methylpyrazolo[3,4-c]pyridine
CID 121416264
1-(5-iodo-1-methylpyrazol-4-yl)ethanamine
CID 131110893
5-bromo-1-methyl-4-propan-2-ylpyrazole
CID 84671203

Frequently Asked Questions

What is the IUPAC name of 7-iodo-1-methyl-6-propan-2-ylindazole?
The IUPAC name of 7-iodo-1-methyl-6-propan-2-ylindazole (CID 118097493) is 7-iodo-1-methyl-6-propan-2-ylindazole.
What is the SMILES notation for 7-iodo-1-methyl-6-propan-2-ylindazole?
The canonical SMILES for 7-iodo-1-methyl-6-propan-2-ylindazole is CC(C)c1ccc2cnn(C)c2c1I.
What is the InChIKey of 7-iodo-1-methyl-6-propan-2-ylindazole?
The InChIKey is DDDRCQBVYKDKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2/c1-7(2)9-5-4-8-6-13-14(3)11(8)10(9)12/h4-7H,1-3H3.
What are the key properties of 7-iodo-1-methyl-6-propan-2-ylindazole?
7-iodo-1-methyl-6-propan-2-ylindazole has a molecular weight of 300.14 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-1-methyl-6-propan-2-ylindazole is sourced from PubChem (CID 118097493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).