3-bromo-2-methylindazole-7-carbaldehyde

C9H7BrN2O — CID 84727881

IUPAC3-bromo-2-methylindazole-7-carbaldehyde
SMILESCn1nc2c(C=O)cccc2c1Br
InChIInChI=1S/C9H7BrN2O/c1-12-9(10)7-4-2-3-6(5-13)8(7)11-12/h2-5H,1H3
InChIKeyTZXUWBNUVUWOAD-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.15
Rot. Bonds1

About 3-bromo-2-methylindazole-7-carbaldehyde

3-bromo-2-methylindazole-7-carbaldehyde (PubChem CID 84727881) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 3-bromo-2-methylindazole-7-carbaldehyde.

Molecular Properties

Compound Name3-bromo-2-methylindazole-7-carbaldehyde
PubChem CID84727881
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name3-bromo-2-methylindazole-7-carbaldehyde
SMILESCn1nc2c(C=O)cccc2c1Br
InChIInChI=1S/C9H7BrN2O/c1-12-9(10)7-4-2-3-6(5-13)8(7)11-12/h2-5H,1H3
InChIKeyTZXUWBNUVUWOAD-UHFFFAOYSA-N
XLogP2.15
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethylindazole-7-carbaldehyde
CID 84717517
2-methyl-3-(2-methylpropyl)indazole-7-carbaldehyde
CID 105469976
3-bromo-7-methoxy-2-methylindazole
CID 84728148
3-bromo-2-methyl-7-nitroindazole
CID 12558578
3-bromo-1-methylindazole-4-carbaldehyde
CID 83824674
1-methyl-3-phenylindazole-7-carbaldehyde
CID 105497737
2,3-dimethylindazole-4-carbaldehyde
CID 84717514
1-methylindole-3,7-dicarbaldehyde
CID 59731130
7-bromo-3-chloro-2-methylindazole
CID 68614934
5-bromonaphthalene-1,6-dicarbaldehyde
CID 22151791
4-methoxyquinoline-8-carbaldehyde
CID 171397329
3-methylbenzimidazole-4-carbaldehyde
CID 82415600

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methylindazole-7-carbaldehyde?
The IUPAC name of 3-bromo-2-methylindazole-7-carbaldehyde (CID 84727881) is 3-bromo-2-methylindazole-7-carbaldehyde.
What is the SMILES notation for 3-bromo-2-methylindazole-7-carbaldehyde?
The canonical SMILES for 3-bromo-2-methylindazole-7-carbaldehyde is Cn1nc2c(C=O)cccc2c1Br.
What is the InChIKey of 3-bromo-2-methylindazole-7-carbaldehyde?
The InChIKey is TZXUWBNUVUWOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c1-12-9(10)7-4-2-3-6(5-13)8(7)11-12/h2-5H,1H3.
What are the key properties of 3-bromo-2-methylindazole-7-carbaldehyde?
3-bromo-2-methylindazole-7-carbaldehyde has a molecular weight of 239.07 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methylindazole-7-carbaldehyde is sourced from PubChem (CID 84727881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).