3-iodo-6-methyl-2H-indazol-5-amine

C8H8IN3 — CID 24729252

IUPAC3-iodo-6-methyl-2H-indazol-5-amine
SMILESCc1cc2n[nH]c(I)c2cc1N
InChIInChI=1S/C8H8IN3/c1-4-2-7-5(3-6(4)10)8(9)12-11-7/h2-3H,10H2,1H3,(H,11,12)
InChIKeyKHCABMPYPIFRLE-UHFFFAOYSA-N
MW273.08 g/mol
LogP2.06
Rot. Bonds

About 3-iodo-6-methyl-2H-indazol-5-amine

3-iodo-6-methyl-2H-indazol-5-amine (PubChem CID 24729252) has the molecular formula C8H8IN3 and a molecular weight of 273.08 g/mol. Its IUPAC name is 3-iodo-6-methyl-2H-indazol-5-amine.

Molecular Properties

Compound Name3-iodo-6-methyl-2H-indazol-5-amine
PubChem CID24729252
Molecular FormulaC8H8IN3
Molecular Weight273.08 g/mol
Exact Mass272.98
IUPAC Name3-iodo-6-methyl-2H-indazol-5-amine
SMILESCc1cc2n[nH]c(I)c2cc1N
InChIInChI=1S/C8H8IN3/c1-4-2-7-5(3-6(4)10)8(9)12-11-7/h2-3H,10H2,1H3,(H,11,12)
InChIKeyKHCABMPYPIFRLE-UHFFFAOYSA-N
XLogP2.06
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-6-methyl-2H-indazol-5-amine?
The IUPAC name of 3-iodo-6-methyl-2H-indazol-5-amine (CID 24729252) is 3-iodo-6-methyl-2H-indazol-5-amine.
What is the SMILES notation for 3-iodo-6-methyl-2H-indazol-5-amine?
The canonical SMILES for 3-iodo-6-methyl-2H-indazol-5-amine is Cc1cc2n[nH]c(I)c2cc1N.
What is the InChIKey of 3-iodo-6-methyl-2H-indazol-5-amine?
The InChIKey is KHCABMPYPIFRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8IN3/c1-4-2-7-5(3-6(4)10)8(9)12-11-7/h2-3H,10H2,1H3,(H,11,12).
What are the key properties of 3-iodo-6-methyl-2H-indazol-5-amine?
3-iodo-6-methyl-2H-indazol-5-amine has a molecular weight of 273.08 g/mol, XLogP of 2.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-6-methyl-2H-indazol-5-amine is sourced from PubChem (CID 24729252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).