4-methoxy-2-methylindazole-7-carbaldehyde

C10H10N2O2 — CID 117110206

IUPAC4-methoxy-2-methylindazole-7-carbaldehyde
SMILESCOc1ccc(C=O)c2nn(C)cc12
InChIInChI=1S/C10H10N2O2/c1-12-5-8-9(14-2)4-3-7(6-13)10(8)11-12/h3-6H,1-2H3
InChIKeyFXHXIQAUFJTIFX-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.39
Rot. Bonds2

About 4-methoxy-2-methylindazole-7-carbaldehyde

4-methoxy-2-methylindazole-7-carbaldehyde (PubChem CID 117110206) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-methoxy-2-methylindazole-7-carbaldehyde.

Molecular Properties

Compound Name4-methoxy-2-methylindazole-7-carbaldehyde
PubChem CID117110206
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name4-methoxy-2-methylindazole-7-carbaldehyde
SMILESCOc1ccc(C=O)c2nn(C)cc12
InChIInChI=1S/C10H10N2O2/c1-12-5-8-9(14-2)4-3-7(6-13)10(8)11-12/h3-6H,1-2H3
InChIKeyFXHXIQAUFJTIFX-UHFFFAOYSA-N
XLogP1.39
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methylindazole-7-carbaldehyde?
The IUPAC name of 4-methoxy-2-methylindazole-7-carbaldehyde (CID 117110206) is 4-methoxy-2-methylindazole-7-carbaldehyde.
What is the SMILES notation for 4-methoxy-2-methylindazole-7-carbaldehyde?
The canonical SMILES for 4-methoxy-2-methylindazole-7-carbaldehyde is COc1ccc(C=O)c2nn(C)cc12.
What is the InChIKey of 4-methoxy-2-methylindazole-7-carbaldehyde?
The InChIKey is FXHXIQAUFJTIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-12-5-8-9(14-2)4-3-7(6-13)10(8)11-12/h3-6H,1-2H3.
What are the key properties of 4-methoxy-2-methylindazole-7-carbaldehyde?
4-methoxy-2-methylindazole-7-carbaldehyde has a molecular weight of 190.20 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methylindazole-7-carbaldehyde is sourced from PubChem (CID 117110206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).