5-chloro-4-iodo-6-methyl-1H-indazole

C8H6ClIN2 — CID 176951364

IUPAC5-chloro-4-iodo-6-methyl-1H-indazole
SMILESCc1cc2[nH]ncc2c(I)c1Cl
InChIInChI=1S/C8H6ClIN2/c1-4-2-6-5(3-11-12-6)8(10)7(4)9/h2-3H,1H3,(H,11,12)
InChIKeyAGFMXSPLFYARBO-UHFFFAOYSA-N
MW292.51 g/mol
LogP3.13
Rot. Bonds

About 5-chloro-4-iodo-6-methyl-1H-indazole

5-chloro-4-iodo-6-methyl-1H-indazole (PubChem CID 176951364) has the molecular formula C8H6ClIN2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 5-chloro-4-iodo-6-methyl-1H-indazole.

Molecular Properties

Compound Name5-chloro-4-iodo-6-methyl-1H-indazole
PubChem CID176951364
Molecular FormulaC8H6ClIN2
Molecular Weight292.51 g/mol
Exact Mass291.93
IUPAC Name5-chloro-4-iodo-6-methyl-1H-indazole
SMILESCc1cc2[nH]ncc2c(I)c1Cl
InChIInChI=1S/C8H6ClIN2/c1-4-2-6-5(3-11-12-6)8(10)7(4)9/h2-3H,1H3,(H,11,12)
InChIKeyAGFMXSPLFYARBO-UHFFFAOYSA-N
XLogP3.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-chloro-7-methyl-1H-indazole
CID 146307871
6-methyl-4,5-di(propan-2-yl)-1H-indazole
CID 171650760
4-bromo-5,6-dichloro-1H-indazole
CID 139345853
5,6-dichloro-1H-indazol-4-ol
CID 163323751
5-chloro-4-ethyl-6-fluoro-1H-indazole
CID 139364624
6-chloro-4-propan-2-yl-1H-indazole
CID 118042554
6-methyl-1H-pyrazolo[4,5-c]pyridin-4-amine
CID 69175478
4-fluoro-6-methyl-1H-indazole
CID 24728805
4-butan-2-yl-6-chloro-5-methyl-1H-indazole
CID 177000627
6-chloro-5-(1-fluorocyclopropyl)-4-methyl-1H-indazole
CID 176974904
5-chloro-6-fluoro-4-(2-methylbutan-2-yl)-1H-indazole
CID 170282210
5-iodo-4-methyl-1H-pyrazole
CID 67184620

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-iodo-6-methyl-1H-indazole?
The IUPAC name of 5-chloro-4-iodo-6-methyl-1H-indazole (CID 176951364) is 5-chloro-4-iodo-6-methyl-1H-indazole.
What is the SMILES notation for 5-chloro-4-iodo-6-methyl-1H-indazole?
The canonical SMILES for 5-chloro-4-iodo-6-methyl-1H-indazole is Cc1cc2[nH]ncc2c(I)c1Cl.
What is the InChIKey of 5-chloro-4-iodo-6-methyl-1H-indazole?
The InChIKey is AGFMXSPLFYARBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClIN2/c1-4-2-6-5(3-11-12-6)8(10)7(4)9/h2-3H,1H3,(H,11,12).
What are the key properties of 5-chloro-4-iodo-6-methyl-1H-indazole?
5-chloro-4-iodo-6-methyl-1H-indazole has a molecular weight of 292.51 g/mol, XLogP of 3.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-iodo-6-methyl-1H-indazole is sourced from PubChem (CID 176951364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).