1-(5,6-dichloro-1H-indazol-7-yl)-2-methylpropan-1-ol

C11H12Cl2N2O — CID 134411510

IUPAC1-(5,6-dichloro-1H-indazol-7-yl)-2-methylpropan-1-ol
SMILESCC(C)C(O)c1c(Cl)c(Cl)cc2cn[nH]c12
InChIInChI=1S/C11H12Cl2N2O/c1-5(2)11(16)8-9(13)7(12)3-6-4-14-15-10(6)8/h3-5,11,16H,1-2H3,(H,14,15)
InChIKeyXVIYKVPTSHQLSI-UHFFFAOYSA-N
MW259.14 g/mol
LogP3.56
Rot. Bonds2

About 1-(5,6-dichloro-1H-indazol-7-yl)-2-methylpropan-1-ol

1-(5,6-dichloro-1H-indazol-7-yl)-2-methylpropan-1-ol (PubChem CID 134411510) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 1-(5,6-dichloro-1H-indazol-7-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(5,6-dichloro-1H-indazol-7-yl)-2-methylpropan-1-ol
PubChem CID134411510
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name1-(5,6-dichloro-1H-indazol-7-yl)-2-methylpropan-1-ol
SMILESCC(C)C(O)c1c(Cl)c(Cl)cc2cn[nH]c12
InChIInChI=1S/C11H12Cl2N2O/c1-5(2)11(16)8-9(13)7(12)3-6-4-14-15-10(6)8/h3-5,11,16H,1-2H3,(H,14,15)
InChIKeyXVIYKVPTSHQLSI-UHFFFAOYSA-N
XLogP3.56
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(5,6-dichloro-1H-indazol-7-yl)-2-methylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dichloro-1H-indazol-7-yl)-2-methylpropan-1-ol?
The IUPAC name of 1-(5,6-dichloro-1H-indazol-7-yl)-2-methylpropan-1-ol (CID 134411510) is 1-(5,6-dichloro-1H-indazol-7-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(5,6-dichloro-1H-indazol-7-yl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(5,6-dichloro-1H-indazol-7-yl)-2-methylpropan-1-ol is CC(C)C(O)c1c(Cl)c(Cl)cc2cn[nH]c12.
What is the InChIKey of 1-(5,6-dichloro-1H-indazol-7-yl)-2-methylpropan-1-ol?
The InChIKey is XVIYKVPTSHQLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c1-5(2)11(16)8-9(13)7(12)3-6-4-14-15-10(6)8/h3-5,11,16H,1-2H3,(H,14,15).
What are the key properties of 1-(5,6-dichloro-1H-indazol-7-yl)-2-methylpropan-1-ol?
1-(5,6-dichloro-1H-indazol-7-yl)-2-methylpropan-1-ol has a molecular weight of 259.14 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dichloro-1H-indazol-7-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 134411510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).