6-bromo-5-methoxy-3-methyl-2H-indazole

C9H9BrN2O — CID 176567040

IUPAC6-bromo-5-methoxy-3-methyl-2H-indazole
SMILESCOc1cc2c(C)[nH]nc2cc1Br
InChIInChI=1S/C9H9BrN2O/c1-5-6-3-9(13-2)7(10)4-8(6)12-11-5/h3-4H,1-2H3,(H,11,12)
InChIKeyDBLIFSPTZJTPGM-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.64
Rot. Bonds1

About 6-bromo-5-methoxy-3-methyl-2H-indazole

6-bromo-5-methoxy-3-methyl-2H-indazole (PubChem CID 176567040) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 6-bromo-5-methoxy-3-methyl-2H-indazole.

Molecular Properties

Compound Name6-bromo-5-methoxy-3-methyl-2H-indazole
PubChem CID176567040
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name6-bromo-5-methoxy-3-methyl-2H-indazole
SMILESCOc1cc2c(C)[nH]nc2cc1Br
InChIInChI=1S/C9H9BrN2O/c1-5-6-3-9(13-2)7(10)4-8(6)12-11-5/h3-4H,1-2H3,(H,11,12)
InChIKeyDBLIFSPTZJTPGM-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

6-bromo-3,5-dimethyl-2H-indazole;ethane
CID 178017805
6-bromo-4-methoxy-3-methyl-2H-indazole
CID 126681019
ethane;6-methoxy-3-methyl-2H-indazole
CID 142896061
6-chloro-3-iodo-5-methoxy-2H-indazole
CID 163409897
5-bromo-4-methoxy-3-methyl-2H-indazole
CID 84702333
5-bromo-6-methoxy-1H-indazol-3-amine
CID 155294306
4-(2-bromo-4,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine
CID 42639134
7-bromo-2,4-dichloro-6-methoxyquinoline
CID 171506609
7-bromo-2,4-dichloro-6-methoxyquinazoline
CID 155682427
6-chloro-3,5-dimethyl-2H-indazole
CID 89021116
3-(2,5-dimethoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 116826861
3-(3-bromo-4-methoxyphenyl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 116826928

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-methoxy-3-methyl-2H-indazole?
The IUPAC name of 6-bromo-5-methoxy-3-methyl-2H-indazole (CID 176567040) is 6-bromo-5-methoxy-3-methyl-2H-indazole.
What is the SMILES notation for 6-bromo-5-methoxy-3-methyl-2H-indazole?
The canonical SMILES for 6-bromo-5-methoxy-3-methyl-2H-indazole is COc1cc2c(C)[nH]nc2cc1Br.
What is the InChIKey of 6-bromo-5-methoxy-3-methyl-2H-indazole?
The InChIKey is DBLIFSPTZJTPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c1-5-6-3-9(13-2)7(10)4-8(6)12-11-5/h3-4H,1-2H3,(H,11,12).
What are the key properties of 6-bromo-5-methoxy-3-methyl-2H-indazole?
6-bromo-5-methoxy-3-methyl-2H-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 6-bromo-5-methoxy-3-methyl-2H-indazole is sourced from PubChem (CID 176567040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).