5-cyclopropyl-3-iodo-1-methylindazole

C11H11IN2 — CID 118990677

IUPAC5-cyclopropyl-3-iodo-1-methylindazole
SMILESCn1nc(I)c2cc(C3CC3)ccc21
InChIInChI=1S/C11H11IN2/c1-14-10-5-4-8(7-2-3-7)6-9(10)11(12)13-14/h4-7H,2-3H2,1H3
InChIKeyPRJNCACBYSNXSC-UHFFFAOYSA-N
MW298.13 g/mol
LogP3.06
Rot. Bonds1

About 5-cyclopropyl-3-iodo-1-methylindazole

5-cyclopropyl-3-iodo-1-methylindazole (PubChem CID 118990677) has the molecular formula C11H11IN2 and a molecular weight of 298.13 g/mol. Its IUPAC name is 5-cyclopropyl-3-iodo-1-methylindazole.

Molecular Properties

Compound Name5-cyclopropyl-3-iodo-1-methylindazole
PubChem CID118990677
Molecular FormulaC11H11IN2
Molecular Weight298.13 g/mol
Exact Mass298.00
IUPAC Name5-cyclopropyl-3-iodo-1-methylindazole
SMILESCn1nc(I)c2cc(C3CC3)ccc21
InChIInChI=1S/C11H11IN2/c1-14-10-5-4-8(7-2-3-7)6-9(10)11(12)13-14/h4-7H,2-3H2,1H3
InChIKeyPRJNCACBYSNXSC-UHFFFAOYSA-N
XLogP3.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-iodo-1-methylindazole?
The IUPAC name of 5-cyclopropyl-3-iodo-1-methylindazole (CID 118990677) is 5-cyclopropyl-3-iodo-1-methylindazole.
What is the SMILES notation for 5-cyclopropyl-3-iodo-1-methylindazole?
The canonical SMILES for 5-cyclopropyl-3-iodo-1-methylindazole is Cn1nc(I)c2cc(C3CC3)ccc21.
What is the InChIKey of 5-cyclopropyl-3-iodo-1-methylindazole?
The InChIKey is PRJNCACBYSNXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2/c1-14-10-5-4-8(7-2-3-7)6-9(10)11(12)13-14/h4-7H,2-3H2,1H3.
What are the key properties of 5-cyclopropyl-3-iodo-1-methylindazole?
5-cyclopropyl-3-iodo-1-methylindazole has a molecular weight of 298.13 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-iodo-1-methylindazole is sourced from PubChem (CID 118990677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).