4-bromo-1-methylindazole-5-carbaldehyde

C9H7BrN2O — CID 117109426

IUPAC4-bromo-1-methylindazole-5-carbaldehyde
SMILESCn1ncc2c(Br)c(C=O)ccc21
InChIInChI=1S/C9H7BrN2O/c1-12-8-3-2-6(5-13)9(10)7(8)4-11-12/h2-5H,1H3
InChIKeyXKTPPXLBAUZYHS-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.15
Rot. Bonds1

About 4-bromo-1-methylindazole-5-carbaldehyde

4-bromo-1-methylindazole-5-carbaldehyde (PubChem CID 117109426) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 4-bromo-1-methylindazole-5-carbaldehyde.

Molecular Properties

Compound Name4-bromo-1-methylindazole-5-carbaldehyde
PubChem CID117109426
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name4-bromo-1-methylindazole-5-carbaldehyde
SMILESCn1ncc2c(Br)c(C=O)ccc21
InChIInChI=1S/C9H7BrN2O/c1-12-8-3-2-6(5-13)9(10)7(8)4-11-12/h2-5H,1H3
InChIKeyXKTPPXLBAUZYHS-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'}

Analyze 4-bromo-1-methylindazole-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-1-methylindazole-4-carbaldehyde
CID 84662481
5-(4-bromophenoxy)-1-methylpyrazole-4-carbaldehyde
CID 169156307
1,4-dimethylindazol-5-ol
CID 121228794
4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)benzaldehyde
CID 157022221
7-chloro-1-methylindazole-6-carbaldehyde
CID 117109713
4-methoxy-1,5-dimethylindazole
CID 170279766
4-fluoro-1-methylindazol-5-amine
CID 84652063
4-chloro-1-methylindazol-5-amine
CID 84658253
4-fluoro-5-iodo-1-methylindazole
CID 176891640
5-bromonaphthalene-1,6-dicarbaldehyde
CID 22151791
4-ethyl-1,5-dimethylindazole
CID 176690635
4-tert-butyl-1,5-dimethylindazole
CID 138655344

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methylindazole-5-carbaldehyde?
The IUPAC name of 4-bromo-1-methylindazole-5-carbaldehyde (CID 117109426) is 4-bromo-1-methylindazole-5-carbaldehyde.
What is the SMILES notation for 4-bromo-1-methylindazole-5-carbaldehyde?
The canonical SMILES for 4-bromo-1-methylindazole-5-carbaldehyde is Cn1ncc2c(Br)c(C=O)ccc21.
What is the InChIKey of 4-bromo-1-methylindazole-5-carbaldehyde?
The InChIKey is XKTPPXLBAUZYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c1-12-8-3-2-6(5-13)9(10)7(8)4-11-12/h2-5H,1H3.
What are the key properties of 4-bromo-1-methylindazole-5-carbaldehyde?
4-bromo-1-methylindazole-5-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 4-bromo-1-methylindazole-5-carbaldehyde is sourced from PubChem (CID 117109426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).