5-bromo-4-methoxy-7-methyl-1H-indazole

C9H9BrN2O — CID 167501479

IUPAC5-bromo-4-methoxy-7-methyl-1H-indazole
SMILESCOc1c(Br)cc(C)c2[nH]ncc12
InChIInChI=1S/C9H9BrN2O/c1-5-3-7(10)9(13-2)6-4-11-12-8(5)6/h3-4H,1-2H3,(H,11,12)
InChIKeyKQMCJOYDIJEFDR-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.64
Rot. Bonds1

About 5-bromo-4-methoxy-7-methyl-1H-indazole

5-bromo-4-methoxy-7-methyl-1H-indazole (PubChem CID 167501479) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 5-bromo-4-methoxy-7-methyl-1H-indazole.

Molecular Properties

Compound Name5-bromo-4-methoxy-7-methyl-1H-indazole
PubChem CID167501479
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name5-bromo-4-methoxy-7-methyl-1H-indazole
SMILESCOc1c(Br)cc(C)c2[nH]ncc12
InChIInChI=1S/C9H9BrN2O/c1-5-3-7(10)9(13-2)6-4-11-12-8(5)6/h3-4H,1-2H3,(H,11,12)
InChIKeyKQMCJOYDIJEFDR-UHFFFAOYSA-N
XLogP2.64
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4-chloro-7-methyl-1H-indazole
CID 146307871
4-bromo-5,7-dimethyl-1H-indazole
CID 70630386
4,6-dibromo-7-methyl-1H-indazole
CID 164895348
2,4-dibromo-3-methoxy-6-methylphenol
CID 11822564
ethyl 4-methoxy-5-methyl-1H-indazole-7-carboxylate
CID 170744696
2-(4-bromo-2,3-dimethoxy-6-methylphenyl)propan-2-ol
CID 117466975
(4-fluoro-5-methyl-1H-indazol-7-yl) thiohypochlorite
CID 164573640
5-bromo-7-methoxy-1H-indazole
CID 83669485
4-chloro-7-methoxy-1H-pyrazolo[4,5-c]pyridine
CID 86717818
4-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine
CID 117496868
4-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-amine
CID 117482951
6-bromo-5-methoxy-3-methyl-2H-indazole
CID 176567040

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-7-methyl-1H-indazole?
The IUPAC name of 5-bromo-4-methoxy-7-methyl-1H-indazole (CID 167501479) is 5-bromo-4-methoxy-7-methyl-1H-indazole.
What is the SMILES notation for 5-bromo-4-methoxy-7-methyl-1H-indazole?
The canonical SMILES for 5-bromo-4-methoxy-7-methyl-1H-indazole is COc1c(Br)cc(C)c2[nH]ncc12.
What is the InChIKey of 5-bromo-4-methoxy-7-methyl-1H-indazole?
The InChIKey is KQMCJOYDIJEFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c1-5-3-7(10)9(13-2)6-4-11-12-8(5)6/h3-4H,1-2H3,(H,11,12).
What are the key properties of 5-bromo-4-methoxy-7-methyl-1H-indazole?
5-bromo-4-methoxy-7-methyl-1H-indazole has a molecular weight of 241.09 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-7-methyl-1H-indazole is sourced from PubChem (CID 167501479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).