2,3-dimethylindazole-4-carbaldehyde

C10H10N2O — CID 84717514

IUPAC2,3-dimethylindazole-4-carbaldehyde
SMILESCc1c2c(C=O)cccc2nn1C
InChIInChI=1S/C10H10N2O/c1-7-10-8(6-13)4-3-5-9(10)11-12(7)2/h3-6H,1-2H3
InChIKeyDDAIKNVKVYEPNY-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.69
Rot. Bonds1

About 2,3-dimethylindazole-4-carbaldehyde

2,3-dimethylindazole-4-carbaldehyde (PubChem CID 84717514) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2,3-dimethylindazole-4-carbaldehyde.

Molecular Properties

Compound Name2,3-dimethylindazole-4-carbaldehyde
PubChem CID84717514
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2,3-dimethylindazole-4-carbaldehyde
SMILESCc1c2c(C=O)cccc2nn1C
InChIInChI=1S/C10H10N2O/c1-7-10-8(6-13)4-3-5-9(10)11-12(7)2/h3-6H,1-2H3
InChIKeyDDAIKNVKVYEPNY-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 2,3-dimethylindazole-4-carbaldehyde?
The IUPAC name of 2,3-dimethylindazole-4-carbaldehyde (CID 84717514) is 2,3-dimethylindazole-4-carbaldehyde.
What is the SMILES notation for 2,3-dimethylindazole-4-carbaldehyde?
The canonical SMILES for 2,3-dimethylindazole-4-carbaldehyde is Cc1c2c(C=O)cccc2nn1C.
What is the InChIKey of 2,3-dimethylindazole-4-carbaldehyde?
The InChIKey is DDAIKNVKVYEPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7-10-8(6-13)4-3-5-9(10)11-12(7)2/h3-6H,1-2H3.
What are the key properties of 2,3-dimethylindazole-4-carbaldehyde?
2,3-dimethylindazole-4-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 2,3-dimethylindazole-4-carbaldehyde is sourced from PubChem (CID 84717514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).