7-bromo-2,3-dimethylindazole-5-carbaldehyde

C10H9BrN2O — CID 117110361

IUPAC7-bromo-2,3-dimethylindazole-5-carbaldehyde
SMILESCc1c2cc(C=O)cc(Br)c2nn1C
InChIInChI=1S/C10H9BrN2O/c1-6-8-3-7(5-14)4-9(11)10(8)12-13(6)2/h3-5H,1-2H3
InChIKeyMMMGOBHBWGSZQB-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.46
Rot. Bonds1

About 7-bromo-2,3-dimethylindazole-5-carbaldehyde

7-bromo-2,3-dimethylindazole-5-carbaldehyde (PubChem CID 117110361) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 7-bromo-2,3-dimethylindazole-5-carbaldehyde.

Molecular Properties

Compound Name7-bromo-2,3-dimethylindazole-5-carbaldehyde
PubChem CID117110361
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name7-bromo-2,3-dimethylindazole-5-carbaldehyde
SMILESCc1c2cc(C=O)cc(Br)c2nn1C
InChIInChI=1S/C10H9BrN2O/c1-6-8-3-7(5-14)4-9(11)10(8)12-13(6)2/h3-5H,1-2H3
InChIKeyMMMGOBHBWGSZQB-UHFFFAOYSA-N
XLogP2.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,3-dimethylindazole-5-carbaldehyde?
The IUPAC name of 7-bromo-2,3-dimethylindazole-5-carbaldehyde (CID 117110361) is 7-bromo-2,3-dimethylindazole-5-carbaldehyde.
What is the SMILES notation for 7-bromo-2,3-dimethylindazole-5-carbaldehyde?
The canonical SMILES for 7-bromo-2,3-dimethylindazole-5-carbaldehyde is Cc1c2cc(C=O)cc(Br)c2nn1C.
What is the InChIKey of 7-bromo-2,3-dimethylindazole-5-carbaldehyde?
The InChIKey is MMMGOBHBWGSZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-6-8-3-7(5-14)4-9(11)10(8)12-13(6)2/h3-5H,1-2H3.
What are the key properties of 7-bromo-2,3-dimethylindazole-5-carbaldehyde?
7-bromo-2,3-dimethylindazole-5-carbaldehyde has a molecular weight of 253.10 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,3-dimethylindazole-5-carbaldehyde is sourced from PubChem (CID 117110361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).