3-bromo-1-methylindazole-4-carbaldehyde

C9H7BrN2O — CID 83824674

IUPAC3-bromo-1-methylindazole-4-carbaldehyde
SMILESCn1nc(Br)c2c(C=O)cccc21
InChIInChI=1S/C9H7BrN2O/c1-12-7-4-2-3-6(5-13)8(7)9(10)11-12/h2-5H,1H3
InChIKeyPPJGTMLZKQHXRB-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.15
Rot. Bonds1

About 3-bromo-1-methylindazole-4-carbaldehyde

3-bromo-1-methylindazole-4-carbaldehyde (PubChem CID 83824674) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 3-bromo-1-methylindazole-4-carbaldehyde.

Molecular Properties

Compound Name3-bromo-1-methylindazole-4-carbaldehyde
PubChem CID83824674
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name3-bromo-1-methylindazole-4-carbaldehyde
SMILESCn1nc(Br)c2c(C=O)cccc21
InChIInChI=1S/C9H7BrN2O/c1-12-7-4-2-3-6(5-13)8(7)9(10)11-12/h2-5H,1H3
InChIKeyPPJGTMLZKQHXRB-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-methyl-2H-indazole-3-carbaldehyde
CID 818117
1-Methyl-1H-indazole-3-carboxaldehyde
CID 7164545
2-bromo-1-(1-methyl-1H-indazol-3-yl)ethan-1-one
CID 103123692
1-Methyl-1H-indazole-4-carbaldehyde
CID 37818471
1-Methyl-1H-indazole-6-carbaldehyde
CID 37818596
4-Acetyl-1-methyl-1H-indazole
CID 44119225
7-Bromo-2-methyl-2H-indazole-3-carbaldehyde
CID 46839916
2-Methyl-2H-indazole-4-carbaldehyde
CID 59334618
2,3-Dimethyl-2H-indazole-5-carbaldehyde
CID 72207345
3-(1-ethyl-1H-indazol-3-yl)propanal
CID 65830730
1-(1-methyl-1H-indazol-3-yl)prop-2-en-1-one
CID 103124836
1-(1-Methyl-1H-indazol-3-yl)ethan-1-one
CID 12455284

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methylindazole-4-carbaldehyde?
The IUPAC name of 3-bromo-1-methylindazole-4-carbaldehyde (CID 83824674) is 3-bromo-1-methylindazole-4-carbaldehyde.
What is the SMILES notation for 3-bromo-1-methylindazole-4-carbaldehyde?
The canonical SMILES for 3-bromo-1-methylindazole-4-carbaldehyde is Cn1nc(Br)c2c(C=O)cccc21.
What is the InChIKey of 3-bromo-1-methylindazole-4-carbaldehyde?
The InChIKey is PPJGTMLZKQHXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c1-12-7-4-2-3-6(5-13)8(7)9(10)11-12/h2-5H,1H3.
What are the key properties of 3-bromo-1-methylindazole-4-carbaldehyde?
3-bromo-1-methylindazole-4-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-1-methylindazole-4-carbaldehyde is sourced from PubChem (CID 83824674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).