3-bromo-6-methyl-1-(oxan-2-yl)indazole

C13H15BrN2O — CID 175654003

IUPAC3-bromo-6-methyl-1-(oxan-2-yl)indazole
SMILESCc1ccc2c(Br)nn(C3CCCCO3)c2c1
InChIInChI=1S/C13H15BrN2O/c1-9-5-6-10-11(8-9)16(15-13(10)14)12-4-2-3-7-17-12/h5-6,8,12H,2-4,7H2,1H3
InChIKeyIBDXAGKHDLNJPB-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.81
Rot. Bonds1

About 3-bromo-6-methyl-1-(oxan-2-yl)indazole

3-bromo-6-methyl-1-(oxan-2-yl)indazole (PubChem CID 175654003) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 3-bromo-6-methyl-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name3-bromo-6-methyl-1-(oxan-2-yl)indazole
PubChem CID175654003
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name3-bromo-6-methyl-1-(oxan-2-yl)indazole
SMILESCc1ccc2c(Br)nn(C3CCCCO3)c2c1
InChIInChI=1S/C13H15BrN2O/c1-9-5-6-10-11(8-9)16(15-13(10)14)12-4-2-3-7-17-12/h5-6,8,12H,2-4,7H2,1H3
InChIKeyIBDXAGKHDLNJPB-UHFFFAOYSA-N
XLogP3.81
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-1-(oxan-2-yl)indazole
CID 144555145
3-bromo-1-(oxolan-2-yl)indazole
CID 175417503
[3-bromo-1-(oxan-2-yl)indazol-5-yl]oxy-tert-butyl-dimethylsilane
CID 169448982
6-bromo-1-(oxan-2-yl)indazole-3-carbaldehyde
CID 86676267
3,5-dibromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine
CID 121228843
3-bromo-5-(furan-2-yl)-1-(oxan-2-yl)indazole
CID 168525467
3-bromo-5-[5-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole;phosphane
CID 166146302
3-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
CID 91663938
3-methyl-1-(oxan-2-yl)pyrazolo[5,4-c]pyridine
CID 141359548
3-bromo-7-fluoro-1-(oxan-2-yl)indazole
CID 151478980
4-bromo-5-methyl-1-(oxan-2-yl)indazole
CID 71307646
4-bromo-6-chloro-3,5-dimethyl-1-(oxan-2-yl)indazole
CID 169184718

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methyl-1-(oxan-2-yl)indazole?
The IUPAC name of 3-bromo-6-methyl-1-(oxan-2-yl)indazole (CID 175654003) is 3-bromo-6-methyl-1-(oxan-2-yl)indazole.
What is the SMILES notation for 3-bromo-6-methyl-1-(oxan-2-yl)indazole?
The canonical SMILES for 3-bromo-6-methyl-1-(oxan-2-yl)indazole is Cc1ccc2c(Br)nn(C3CCCCO3)c2c1.
What is the InChIKey of 3-bromo-6-methyl-1-(oxan-2-yl)indazole?
The InChIKey is IBDXAGKHDLNJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-9-5-6-10-11(8-9)16(15-13(10)14)12-4-2-3-7-17-12/h5-6,8,12H,2-4,7H2,1H3.
What are the key properties of 3-bromo-6-methyl-1-(oxan-2-yl)indazole?
3-bromo-6-methyl-1-(oxan-2-yl)indazole has a molecular weight of 295.18 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methyl-1-(oxan-2-yl)indazole is sourced from PubChem (CID 175654003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).