4-bromo-6-methoxy-1-(oxan-2-yl)indazole

C13H15BrN2O2 — CID 71272652

IUPAC4-bromo-6-methoxy-1-(oxan-2-yl)indazole
SMILESCOc1cc(Br)c2cnn(C3CCCCO3)c2c1
InChIInChI=1S/C13H15BrN2O2/c1-17-9-6-11(14)10-8-15-16(12(10)7-9)13-4-2-3-5-18-13/h6-8,13H,2-5H2,1H3
InChIKeyOXAJDNYNSJOXIJ-UHFFFAOYSA-N
MW311.18 g/mol
LogP3.51
Rot. Bonds2

About 4-bromo-6-methoxy-1-(oxan-2-yl)indazole

4-bromo-6-methoxy-1-(oxan-2-yl)indazole (PubChem CID 71272652) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 4-bromo-6-methoxy-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name4-bromo-6-methoxy-1-(oxan-2-yl)indazole
PubChem CID71272652
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name4-bromo-6-methoxy-1-(oxan-2-yl)indazole
SMILESCOc1cc(Br)c2cnn(C3CCCCO3)c2c1
InChIInChI=1S/C13H15BrN2O2/c1-17-9-6-11(14)10-8-15-16(12(10)7-9)13-4-2-3-5-18-13/h6-8,13H,2-5H2,1H3
InChIKeyOXAJDNYNSJOXIJ-UHFFFAOYSA-N
XLogP3.51
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-methoxy-1-(oxan-2-yl)indazole?
The IUPAC name of 4-bromo-6-methoxy-1-(oxan-2-yl)indazole (CID 71272652) is 4-bromo-6-methoxy-1-(oxan-2-yl)indazole.
What is the SMILES notation for 4-bromo-6-methoxy-1-(oxan-2-yl)indazole?
The canonical SMILES for 4-bromo-6-methoxy-1-(oxan-2-yl)indazole is COc1cc(Br)c2cnn(C3CCCCO3)c2c1.
What is the InChIKey of 4-bromo-6-methoxy-1-(oxan-2-yl)indazole?
The InChIKey is OXAJDNYNSJOXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-17-9-6-11(14)10-8-15-16(12(10)7-9)13-4-2-3-5-18-13/h6-8,13H,2-5H2,1H3.
What are the key properties of 4-bromo-6-methoxy-1-(oxan-2-yl)indazole?
4-bromo-6-methoxy-1-(oxan-2-yl)indazole has a molecular weight of 311.18 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-methoxy-1-(oxan-2-yl)indazole is sourced from PubChem (CID 71272652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).