1-(5-bromo-6-fluoro-7-methoxyindazol-1-yl)-2-methylpropan-2-ol

C12H14BrFN2O2 — CID 135339688

IUPAC1-(5-bromo-6-fluoro-7-methoxyindazol-1-yl)-2-methylpropan-2-ol
SMILESCOc1c(F)c(Br)cc2cnn(CC(C)(C)O)c12
InChIInChI=1S/C12H14BrFN2O2/c1-12(2,17)6-16-10-7(5-15-16)4-8(13)9(14)11(10)18-3/h4-5,17H,6H2,1-3H3
InChIKeyBVVHDPKCRAWRNC-UHFFFAOYSA-N
MW317.16 g/mol
LogP2.72
Rot. Bonds3

About 1-(5-bromo-6-fluoro-7-methoxyindazol-1-yl)-2-methylpropan-2-ol

1-(5-bromo-6-fluoro-7-methoxyindazol-1-yl)-2-methylpropan-2-ol (PubChem CID 135339688) has the molecular formula C12H14BrFN2O2 and a molecular weight of 317.16 g/mol. Its IUPAC name is 1-(5-bromo-6-fluoro-7-methoxyindazol-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-6-fluoro-7-methoxyindazol-1-yl)-2-methylpropan-2-ol
PubChem CID135339688
Molecular FormulaC12H14BrFN2O2
Molecular Weight317.16 g/mol
Exact Mass316.02
IUPAC Name1-(5-bromo-6-fluoro-7-methoxyindazol-1-yl)-2-methylpropan-2-ol
SMILESCOc1c(F)c(Br)cc2cnn(CC(C)(C)O)c12
InChIInChI=1S/C12H14BrFN2O2/c1-12(2,17)6-16-10-7(5-15-16)4-8(13)9(14)11(10)18-3/h4-5,17H,6H2,1-3H3
InChIKeyBVVHDPKCRAWRNC-UHFFFAOYSA-N
XLogP2.72
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6-fluoro-7-methoxyindazol-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(5-bromo-6-fluoro-7-methoxyindazol-1-yl)-2-methylpropan-2-ol (CID 135339688) is 1-(5-bromo-6-fluoro-7-methoxyindazol-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(5-bromo-6-fluoro-7-methoxyindazol-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(5-bromo-6-fluoro-7-methoxyindazol-1-yl)-2-methylpropan-2-ol is COc1c(F)c(Br)cc2cnn(CC(C)(C)O)c12.
What is the InChIKey of 1-(5-bromo-6-fluoro-7-methoxyindazol-1-yl)-2-methylpropan-2-ol?
The InChIKey is BVVHDPKCRAWRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O2/c1-12(2,17)6-16-10-7(5-15-16)4-8(13)9(14)11(10)18-3/h4-5,17H,6H2,1-3H3.
What are the key properties of 1-(5-bromo-6-fluoro-7-methoxyindazol-1-yl)-2-methylpropan-2-ol?
1-(5-bromo-6-fluoro-7-methoxyindazol-1-yl)-2-methylpropan-2-ol has a molecular weight of 317.16 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-6-fluoro-7-methoxyindazol-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 135339688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).