4-methoxy-2,3-dimethylindazole-5-carbaldehyde

C11H12N2O2 — CID 117110344

IUPAC4-methoxy-2,3-dimethylindazole-5-carbaldehyde
SMILESCOc1c(C=O)ccc2nn(C)c(C)c12
InChIInChI=1S/C11H12N2O2/c1-7-10-9(12-13(7)2)5-4-8(6-14)11(10)15-3/h4-6H,1-3H3
InChIKeyJCHCLJPEBAHHLF-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.70
Rot. Bonds2

About 4-methoxy-2,3-dimethylindazole-5-carbaldehyde

4-methoxy-2,3-dimethylindazole-5-carbaldehyde (PubChem CID 117110344) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-methoxy-2,3-dimethylindazole-5-carbaldehyde.

Molecular Properties

Compound Name4-methoxy-2,3-dimethylindazole-5-carbaldehyde
PubChem CID117110344
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-methoxy-2,3-dimethylindazole-5-carbaldehyde
SMILESCOc1c(C=O)ccc2nn(C)c(C)c12
InChIInChI=1S/C11H12N2O2/c1-7-10-9(12-13(7)2)5-4-8(6-14)11(10)15-3/h4-6H,1-3H3
InChIKeyJCHCLJPEBAHHLF-UHFFFAOYSA-N
XLogP1.70
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.70
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

2,3-dimethylindazole-4-carbaldehyde
CID 84717514
2,3-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
CID 82039765
2,3-dimethylindazole-7-carbaldehyde
CID 84717517
4-(5-amino-1-methylpyrazol-4-yl)-2,3-dimethoxybenzaldehyde
CID 117407008
5-methoxy-1,3-dimethylisoquinoline-6-carbaldehyde
CID 84681062
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
4-methoxy-2-methylindazole-7-carbaldehyde
CID 117110206
2-methoxy-3,4-bis(trifluoromethyl)benzaldehyde
CID 134640560
4-bromo-2-methoxybenzene-1,3-dicarbaldehyde
CID 171003528
2-(difluoromethoxy)-3-methoxyterephthalaldehyde
CID 171027843
5-(2,3-dimethylindazol-5-yl)furan-2-carbaldehyde
CID 169335056
5-methoxyisoquinoline-6-carbaldehyde
CID 84660978

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dimethylindazole-5-carbaldehyde?
The IUPAC name of 4-methoxy-2,3-dimethylindazole-5-carbaldehyde (CID 117110344) is 4-methoxy-2,3-dimethylindazole-5-carbaldehyde.
What is the SMILES notation for 4-methoxy-2,3-dimethylindazole-5-carbaldehyde?
The canonical SMILES for 4-methoxy-2,3-dimethylindazole-5-carbaldehyde is COc1c(C=O)ccc2nn(C)c(C)c12.
What is the InChIKey of 4-methoxy-2,3-dimethylindazole-5-carbaldehyde?
The InChIKey is JCHCLJPEBAHHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-10-9(12-13(7)2)5-4-8(6-14)11(10)15-3/h4-6H,1-3H3.
What are the key properties of 4-methoxy-2,3-dimethylindazole-5-carbaldehyde?
4-methoxy-2,3-dimethylindazole-5-carbaldehyde has a molecular weight of 204.23 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dimethylindazole-5-carbaldehyde is sourced from PubChem (CID 117110344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).