1-(5-bromo-6,7-difluoroindazol-1-yl)-2-methylpropan-2-ol

C11H11BrF2N2O — CID 135339680

IUPAC1-(5-bromo-6,7-difluoroindazol-1-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1ncc2cc(Br)c(F)c(F)c21
InChIInChI=1S/C11H11BrF2N2O/c1-11(2,17)5-16-10-6(4-15-16)3-7(12)8(13)9(10)14/h3-4,17H,5H2,1-2H3
InChIKeyHGBUHPVQCPSKOZ-UHFFFAOYSA-N
MW305.12 g/mol
LogP2.85
Rot. Bonds2

About 1-(5-bromo-6,7-difluoroindazol-1-yl)-2-methylpropan-2-ol

1-(5-bromo-6,7-difluoroindazol-1-yl)-2-methylpropan-2-ol (PubChem CID 135339680) has the molecular formula C11H11BrF2N2O and a molecular weight of 305.12 g/mol. Its IUPAC name is 1-(5-bromo-6,7-difluoroindazol-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-6,7-difluoroindazol-1-yl)-2-methylpropan-2-ol
PubChem CID135339680
Molecular FormulaC11H11BrF2N2O
Molecular Weight305.12 g/mol
Exact Mass304.00
IUPAC Name1-(5-bromo-6,7-difluoroindazol-1-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1ncc2cc(Br)c(F)c(F)c21
InChIInChI=1S/C11H11BrF2N2O/c1-11(2,17)5-16-10-6(4-15-16)3-7(12)8(13)9(10)14/h3-4,17H,5H2,1-2H3
InChIKeyHGBUHPVQCPSKOZ-UHFFFAOYSA-N
XLogP2.85
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6,7-difluoroindazol-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(5-bromo-6,7-difluoroindazol-1-yl)-2-methylpropan-2-ol (CID 135339680) is 1-(5-bromo-6,7-difluoroindazol-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(5-bromo-6,7-difluoroindazol-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(5-bromo-6,7-difluoroindazol-1-yl)-2-methylpropan-2-ol is CC(C)(O)Cn1ncc2cc(Br)c(F)c(F)c21.
What is the InChIKey of 1-(5-bromo-6,7-difluoroindazol-1-yl)-2-methylpropan-2-ol?
The InChIKey is HGBUHPVQCPSKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2N2O/c1-11(2,17)5-16-10-6(4-15-16)3-7(12)8(13)9(10)14/h3-4,17H,5H2,1-2H3.
What are the key properties of 1-(5-bromo-6,7-difluoroindazol-1-yl)-2-methylpropan-2-ol?
1-(5-bromo-6,7-difluoroindazol-1-yl)-2-methylpropan-2-ol has a molecular weight of 305.12 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-6,7-difluoroindazol-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 135339680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).