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

C12H15IN2O — CID 156727184

IUPAC2-(1-ethyl-3-iodoindazol-6-yl)propan-2-ol
SMILESCCn1nc(I)c2ccc(C(C)(C)O)cc21
InChIInChI=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
InChIKeyICMMIDJIGYKITG-UHFFFAOYSA-N
MW330.17 g/mol
LogP2.89
Rot. Bonds2

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 Name2-(1-ethyl-3-iodoindazol-6-yl)propan-2-ol
PubChem CID156727184
Molecular FormulaC12H15IN2O
Molecular Weight330.17 g/mol
Exact Mass330.02
IUPAC Name2-(1-ethyl-3-iodoindazol-6-yl)propan-2-ol
SMILESCCn1nc(I)c2ccc(C(C)(C)O)cc21
InChIInChI=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
InChIKeyICMMIDJIGYKITG-UHFFFAOYSA-N
XLogP2.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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).