7-iodo-5-methyl-2-phenylindazole

C14H11IN2 — CID 132502003

IUPAC7-iodo-5-methyl-2-phenylindazole
SMILESCc1cc(I)c2nn(-c3ccccc3)cc2c1
InChIInChI=1S/C14H11IN2/c1-10-7-11-9-17(12-5-3-2-4-6-12)16-14(11)13(15)8-10/h2-9H,1H3
InChIKeyOMPHTWZQKSNVBD-UHFFFAOYSA-N
MW334.16 g/mol
LogP3.94
Rot. Bonds1

About 7-iodo-5-methyl-2-phenylindazole

7-iodo-5-methyl-2-phenylindazole (PubChem CID 132502003) has the molecular formula C14H11IN2 and a molecular weight of 334.16 g/mol. Its IUPAC name is 7-iodo-5-methyl-2-phenylindazole.

Molecular Properties

Compound Name7-iodo-5-methyl-2-phenylindazole
PubChem CID132502003
Molecular FormulaC14H11IN2
Molecular Weight334.16 g/mol
Exact Mass334.00
IUPAC Name7-iodo-5-methyl-2-phenylindazole
SMILESCc1cc(I)c2nn(-c3ccccc3)cc2c1
InChIInChI=1S/C14H11IN2/c1-10-7-11-9-17(12-5-3-2-4-6-12)16-14(11)13(15)8-10/h2-9H,1H3
InChIKeyOMPHTWZQKSNVBD-UHFFFAOYSA-N
XLogP3.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-iodo-5-methyl-2-phenylindazole 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

5,6-dimethyl-2-phenylindazole
CID 135006746
4,7-dimethyl-2-phenylindazole
CID 175730275
4-methyl-1-phenylpyrazol-3-amine
CID 12847947
5-chloro-2-phenylindazole
CID 102305728
6-chloro-2-phenylindazole
CID 58529873
5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
CID 118708223
4-methyl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
CID 28811486
7-bromo-5-methoxy-2-(4-methoxyphenyl)indazole
CID 176556601
6-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1H-pyrimidine-2-thione
CID 57394189
2-(4-methylphenyl)-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline
CID 11793694
5-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)pyrazole
CID 71416942
3-methyl-1-phenylpyrazolo[4,5-b]pyridine
CID 76847108

Frequently Asked Questions

What is the IUPAC name of 7-iodo-5-methyl-2-phenylindazole?
The IUPAC name of 7-iodo-5-methyl-2-phenylindazole (CID 132502003) is 7-iodo-5-methyl-2-phenylindazole.
What is the SMILES notation for 7-iodo-5-methyl-2-phenylindazole?
The canonical SMILES for 7-iodo-5-methyl-2-phenylindazole is Cc1cc(I)c2nn(-c3ccccc3)cc2c1.
What is the InChIKey of 7-iodo-5-methyl-2-phenylindazole?
The InChIKey is OMPHTWZQKSNVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2/c1-10-7-11-9-17(12-5-3-2-4-6-12)16-14(11)13(15)8-10/h2-9H,1H3.
What are the key properties of 7-iodo-5-methyl-2-phenylindazole?
7-iodo-5-methyl-2-phenylindazole has a molecular weight of 334.16 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-5-methyl-2-phenylindazole is sourced from PubChem (CID 132502003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).