6-chloro-3-iodo-2H-indazol-4-amine

C7H5ClIN3 — CID 24728283

IUPAC6-chloro-3-iodo-2H-indazol-4-amine
SMILESNc1cc(Cl)cc2n[nH]c(I)c12
InChIInChI=1S/C7H5ClIN3/c8-3-1-4(10)6-5(2-3)11-12-7(6)9/h1-2H,10H2,(H,11,12)
InChIKeyGTSHXCCZFBQTBM-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.40
Rot. Bonds

About 6-chloro-3-iodo-2H-indazol-4-amine

6-chloro-3-iodo-2H-indazol-4-amine (PubChem CID 24728283) has the molecular formula C7H5ClIN3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 6-chloro-3-iodo-2H-indazol-4-amine.

Molecular Properties

Compound Name6-chloro-3-iodo-2H-indazol-4-amine
PubChem CID24728283
Molecular FormulaC7H5ClIN3
Molecular Weight293.50 g/mol
Exact Mass292.92
IUPAC Name6-chloro-3-iodo-2H-indazol-4-amine
SMILESNc1cc(Cl)cc2n[nH]c(I)c12
InChIInChI=1S/C7H5ClIN3/c8-3-1-4(10)6-5(2-3)11-12-7(6)9/h1-2H,10H2,(H,11,12)
InChIKeyGTSHXCCZFBQTBM-UHFFFAOYSA-N
XLogP2.40
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.40
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 6-chloro-3-iodo-2H-indazol-4-amine?
The IUPAC name of 6-chloro-3-iodo-2H-indazol-4-amine (CID 24728283) is 6-chloro-3-iodo-2H-indazol-4-amine.
What is the SMILES notation for 6-chloro-3-iodo-2H-indazol-4-amine?
The canonical SMILES for 6-chloro-3-iodo-2H-indazol-4-amine is Nc1cc(Cl)cc2n[nH]c(I)c12.
What is the InChIKey of 6-chloro-3-iodo-2H-indazol-4-amine?
The InChIKey is GTSHXCCZFBQTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClIN3/c8-3-1-4(10)6-5(2-3)11-12-7(6)9/h1-2H,10H2,(H,11,12).
What are the key properties of 6-chloro-3-iodo-2H-indazol-4-amine?
6-chloro-3-iodo-2H-indazol-4-amine has a molecular weight of 293.50 g/mol, XLogP of 2.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-iodo-2H-indazol-4-amine is sourced from PubChem (CID 24728283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).