7-methoxy-2-methylindazole-5-carbaldehyde

C10H10N2O2 — CID 117110214

IUPAC7-methoxy-2-methylindazole-5-carbaldehyde
SMILESCOc1cc(C=O)cc2cn(C)nc12
InChIInChI=1S/C10H10N2O2/c1-12-5-8-3-7(6-13)4-9(14-2)10(8)11-12/h3-6H,1-2H3
InChIKeyWGQSNWSVJMKIJO-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.39
Rot. Bonds2

About 7-methoxy-2-methylindazole-5-carbaldehyde

7-methoxy-2-methylindazole-5-carbaldehyde (PubChem CID 117110214) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 7-methoxy-2-methylindazole-5-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-2-methylindazole-5-carbaldehyde
PubChem CID117110214
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name7-methoxy-2-methylindazole-5-carbaldehyde
SMILESCOc1cc(C=O)cc2cn(C)nc12
InChIInChI=1S/C10H10N2O2/c1-12-5-8-3-7(6-13)4-9(14-2)10(8)11-12/h3-6H,1-2H3
InChIKeyWGQSNWSVJMKIJO-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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Related Compounds

5-tert-butyl-7-methoxy-2-methylindazole
CID 164740649
4-methoxy-2-methylindazole-7-carbaldehyde
CID 117110206
3-fluoro-2-(fluoromethyl)-8-methoxyquinoline-6-carbaldehyde
CID 156872369
5-bromo-2-methylindazole-7-carbaldehyde
CID 117110228
2-(7-methoxy-2-methylindazol-5-yl)-6-methylimidazo[2,1-b][1,3]thiazole
CID 178050629
4-iodo-3,5-dimethoxybenzaldehyde
CID 11300800
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
6-methoxy-2,5-dimethylindazole
CID 162433035
(2-cyclopropylcyclobutyl) 7-methoxy-2-methylindazole-5-carboxylate
CID 166340182
ethane;6-methoxy-2-methylindazol-7-ol
CID 155591258
5-ethyl-7-fluoro-6-methoxy-2-methylindazole
CID 167501474
5-bromo-7-iodo-6-methoxy-2-methylindazole
CID 178051065

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methylindazole-5-carbaldehyde?
The IUPAC name of 7-methoxy-2-methylindazole-5-carbaldehyde (CID 117110214) is 7-methoxy-2-methylindazole-5-carbaldehyde.
What is the SMILES notation for 7-methoxy-2-methylindazole-5-carbaldehyde?
The canonical SMILES for 7-methoxy-2-methylindazole-5-carbaldehyde is COc1cc(C=O)cc2cn(C)nc12.
What is the InChIKey of 7-methoxy-2-methylindazole-5-carbaldehyde?
The InChIKey is WGQSNWSVJMKIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-12-5-8-3-7(6-13)4-9(14-2)10(8)11-12/h3-6H,1-2H3.
What are the key properties of 7-methoxy-2-methylindazole-5-carbaldehyde?
7-methoxy-2-methylindazole-5-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 7-methoxy-2-methylindazole-5-carbaldehyde is sourced from PubChem (CID 117110214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).