2-(1-ethyl-3-iodoindazol-6-yl)propan-2-ol

C₁₂H₁₅IN₂O — CID 156727184

About 2-(1-ethyl-3-iodoindazol-6-yl)propan-2-ol

2-(1-ethyl-3-iodoindazol-6-yl)propan-2-ol (PubChem CID 156727184) has the molecular formula C₁₂H₁₅IN₂O and a molecular weight of 330.17 g/mol. Its IUPAC name is 2-(1-ethyl-3-iodoindazol-6-yl)propan-2-ol.

Molecular Properties

• Compound Name: 2-(1-ethyl-3-iodoindazol-6-yl)propan-2-ol
• PubChem CID: 156727184
• Molecular Formula: C₁₂H₁₅IN₂O
• Molecular Weight: 330.17 g/mol
• Exact Mass: 330.02
• IUPAC Name: 2-(1-ethyl-3-iodoindazol-6-yl)propan-2-ol
• SMILES: CCn1nc(I)c2ccc(C(C)(C)O)cc21
• InChI: InChI=1S/C12H15IN2O/c1-4-15-10-7-8(12(2,3)16)5-6-9(10)11(13)14-15/h5-7,16H,4H2,1-3H3
• InChIKey: ICMMIDJIGYKITG-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 38.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.17
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3-iodoindazol-6-yl)propan-2-ol?

The IUPAC name of 2-(1-ethyl-3-iodoindazol-6-yl)propan-2-ol (CID 156727184) is 2-(1-ethyl-3-iodoindazol-6-yl)propan-2-ol.

What is the SMILES notation for 2-(1-ethyl-3-iodoindazol-6-yl)propan-2-ol?

The canonical SMILES for 2-(1-ethyl-3-iodoindazol-6-yl)propan-2-ol is CCn1nc(I)c2ccc(C(C)(C)O)cc21.

What is the InChIKey of 2-(1-ethyl-3-iodoindazol-6-yl)propan-2-ol?

The InChIKey is ICMMIDJIGYKITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O/c1-4-15-10-7-8(12(2,3)16)5-6-9(10)11(13)14-15/h5-7,16H,4H2,1-3H3.

What are the key properties of 2-(1-ethyl-3-iodoindazol-6-yl)propan-2-ol?

2-(1-ethyl-3-iodoindazol-6-yl)propan-2-ol has a molecular weight of 330.17 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-ethyl-3-iodoindazol-6-yl)propan-2-ol is sourced from PubChem (CID 156727184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156727184 — identifiers, structure, computed properties (public domain)

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