1-(5-bromo-6-fluoroindazol-2-yl)-2-methylpropan-2-ol

C11H12BrFN2O — CID 135339521

IUPAC1-(5-bromo-6-fluoroindazol-2-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc2cc(Br)c(F)cc2n1
InChIInChI=1S/C11H12BrFN2O/c1-11(2,16)6-15-5-7-3-8(12)9(13)4-10(7)14-15/h3-5,16H,6H2,1-2H3
InChIKeyDRKLMDKIVWCEFS-UHFFFAOYSA-N
MW287.13 g/mol
LogP2.71
Rot. Bonds2

About 1-(5-bromo-6-fluoroindazol-2-yl)-2-methylpropan-2-ol

1-(5-bromo-6-fluoroindazol-2-yl)-2-methylpropan-2-ol (PubChem CID 135339521) has the molecular formula C11H12BrFN2O and a molecular weight of 287.13 g/mol. Its IUPAC name is 1-(5-bromo-6-fluoroindazol-2-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-6-fluoroindazol-2-yl)-2-methylpropan-2-ol
PubChem CID135339521
Molecular FormulaC11H12BrFN2O
Molecular Weight287.13 g/mol
Exact Mass286.01
IUPAC Name1-(5-bromo-6-fluoroindazol-2-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc2cc(Br)c(F)cc2n1
InChIInChI=1S/C11H12BrFN2O/c1-11(2,16)6-15-5-7-3-8(12)9(13)4-10(7)14-15/h3-5,16H,6H2,1-2H3
InChIKeyDRKLMDKIVWCEFS-UHFFFAOYSA-N
XLogP2.71
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-6-fluoroindazol-2-yl)-2-methylpropan-2-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-bromo-6-fluoroindazol-2-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(5-bromo-6-fluoroindazol-2-yl)-2-methylpropan-2-ol (CID 135339521) is 1-(5-bromo-6-fluoroindazol-2-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(5-bromo-6-fluoroindazol-2-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(5-bromo-6-fluoroindazol-2-yl)-2-methylpropan-2-ol is CC(C)(O)Cn1cc2cc(Br)c(F)cc2n1.
What is the InChIKey of 1-(5-bromo-6-fluoroindazol-2-yl)-2-methylpropan-2-ol?
The InChIKey is DRKLMDKIVWCEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O/c1-11(2,16)6-15-5-7-3-8(12)9(13)4-10(7)14-15/h3-5,16H,6H2,1-2H3.
What are the key properties of 1-(5-bromo-6-fluoroindazol-2-yl)-2-methylpropan-2-ol?
1-(5-bromo-6-fluoroindazol-2-yl)-2-methylpropan-2-ol has a molecular weight of 287.13 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-6-fluoroindazol-2-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 135339521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).