1,6-dimethylindazole-3-carbaldehyde

C10H10N2O — CID 20781370

IUPAC1,6-dimethylindazole-3-carbaldehyde
SMILESCc1ccc2c(C=O)nn(C)c2c1
InChIInChI=1S/C10H10N2O/c1-7-3-4-8-9(6-13)11-12(2)10(8)5-7/h3-6H,1-2H3
InChIKeyQZVDWHMJBFUCHE-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.69
Rot. Bonds1

About 1,6-dimethylindazole-3-carbaldehyde

1,6-dimethylindazole-3-carbaldehyde (PubChem CID 20781370) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 1,6-dimethylindazole-3-carbaldehyde.

Molecular Properties

Compound Name1,6-dimethylindazole-3-carbaldehyde
PubChem CID20781370
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name1,6-dimethylindazole-3-carbaldehyde
SMILESCc1ccc2c(C=O)nn(C)c2c1
InChIInChI=1S/C10H10N2O/c1-7-3-4-8-9(6-13)11-12(2)10(8)5-7/h3-6H,1-2H3
InChIKeyQZVDWHMJBFUCHE-UHFFFAOYSA-N
XLogP1.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.69
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 1,6-dimethylindazole-3-carbaldehyde?
The IUPAC name of 1,6-dimethylindazole-3-carbaldehyde (CID 20781370) is 1,6-dimethylindazole-3-carbaldehyde.
What is the SMILES notation for 1,6-dimethylindazole-3-carbaldehyde?
The canonical SMILES for 1,6-dimethylindazole-3-carbaldehyde is Cc1ccc2c(C=O)nn(C)c2c1.
What is the InChIKey of 1,6-dimethylindazole-3-carbaldehyde?
The InChIKey is QZVDWHMJBFUCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7-3-4-8-9(6-13)11-12(2)10(8)5-7/h3-6H,1-2H3.
What are the key properties of 1,6-dimethylindazole-3-carbaldehyde?
1,6-dimethylindazole-3-carbaldehyde has a molecular weight of 174.20 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethylindazole-3-carbaldehyde is sourced from PubChem (CID 20781370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).