5-bromo-2-methylindazole-7-carbaldehyde

C9H7BrN2O — CID 117110228

IUPAC5-bromo-2-methylindazole-7-carbaldehyde
SMILESCn1cc2cc(Br)cc(C=O)c2n1
InChIInChI=1S/C9H7BrN2O/c1-12-4-6-2-8(10)3-7(5-13)9(6)11-12/h2-5H,1H3
InChIKeyPMHFAHSNMCNYPQ-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.15
Rot. Bonds1

About 5-bromo-2-methylindazole-7-carbaldehyde

5-bromo-2-methylindazole-7-carbaldehyde (PubChem CID 117110228) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 5-bromo-2-methylindazole-7-carbaldehyde.

Molecular Properties

Compound Name5-bromo-2-methylindazole-7-carbaldehyde
PubChem CID117110228
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name5-bromo-2-methylindazole-7-carbaldehyde
SMILESCn1cc2cc(Br)cc(C=O)c2n1
InChIInChI=1S/C9H7BrN2O/c1-12-4-6-2-8(10)3-7(5-13)9(6)11-12/h2-5H,1H3
InChIKeyPMHFAHSNMCNYPQ-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

5-bromo-7-(2,2-difluoroethenyl)-2-methylindazole
CID 178051136
7-methoxy-2-methylindazole-5-carbaldehyde
CID 117110214
5-chloro-2-methylindazole-6-carbaldehyde
CID 117110225
3-(2-bromophenyl)-1-methylpyrazole-4-carbaldehyde
CID 43141306
3-(5-bromo-3-fluoro-2-pyridinyl)-1-methylpyrazole-4-carbaldehyde
CID 114798131
7-bromo-6-fluoro-2-methylindazol-5-amine
CID 171792771
5-bromo-7-iodo-6-methoxy-2-methylindazole
CID 178051065
4-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde
CID 84634849
ethane;2,5,7-trimethylindazole
CID 156845071
4-methoxy-2-methylindazole-7-carbaldehyde
CID 117110206
7-bromo-2-methylindazole;ethane
CID 155591280
5-chloro-2,7-dimethylpyrazolo[3,4-c]pyridine
CID 162432890

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylindazole-7-carbaldehyde?
The IUPAC name of 5-bromo-2-methylindazole-7-carbaldehyde (CID 117110228) is 5-bromo-2-methylindazole-7-carbaldehyde.
What is the SMILES notation for 5-bromo-2-methylindazole-7-carbaldehyde?
The canonical SMILES for 5-bromo-2-methylindazole-7-carbaldehyde is Cn1cc2cc(Br)cc(C=O)c2n1.
What is the InChIKey of 5-bromo-2-methylindazole-7-carbaldehyde?
The InChIKey is PMHFAHSNMCNYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c1-12-4-6-2-8(10)3-7(5-13)9(6)11-12/h2-5H,1H3.
What are the key properties of 5-bromo-2-methylindazole-7-carbaldehyde?
5-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 5-bromo-2-methylindazole-7-carbaldehyde is sourced from PubChem (CID 117110228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).