2,3,7-trimethylindazole-5-carbaldehyde

C11H12N2O — CID 117110362

IUPAC2,3,7-trimethylindazole-5-carbaldehyde
SMILESCc1cc(C=O)cc2c(C)n(C)nc12
InChIInChI=1S/C11H12N2O/c1-7-4-9(6-14)5-10-8(2)13(3)12-11(7)10/h4-6H,1-3H3
InChIKeySGIDALLXHFMSGX-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.00
Rot. Bonds1

About 2,3,7-trimethylindazole-5-carbaldehyde

2,3,7-trimethylindazole-5-carbaldehyde (PubChem CID 117110362) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2,3,7-trimethylindazole-5-carbaldehyde.

Molecular Properties

Compound Name2,3,7-trimethylindazole-5-carbaldehyde
PubChem CID117110362
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2,3,7-trimethylindazole-5-carbaldehyde
SMILESCc1cc(C=O)cc2c(C)n(C)nc12
InChIInChI=1S/C11H12N2O/c1-7-4-9(6-14)5-10-8(2)13(3)12-11(7)10/h4-6H,1-3H3
InChIKeySGIDALLXHFMSGX-UHFFFAOYSA-N
XLogP2.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-2,3-dimethylindazole-5-carbaldehyde
CID 117110361
4,8-dimethylquinoline-6-carbaldehyde
CID 82573791
2,3-dimethylindazole-7-carbaldehyde
CID 84717517
3,5-dimethyl-4-trimethylsilyloxybenzaldehyde
CID 102090063
3-chloro-4-(1,3,5-trimethylpyrazol-4-yl)oxybenzaldehyde
CID 81151684
4-methyl-1,3-benzothiazole-6-carbaldehyde
CID 166070026
4-ethoxy-3,5-dimethylbenzaldehyde
CID 18182978
bis(4-formyl-2,6-dimethylphenyl) carbonate
CID 10019268
5,8-dimethylquinoline-3-carbaldehyde
CID 82111610
4-[10-(4-formyl-2,6-dimethylphenoxy)decoxy]-3,5-dimethylbenzaldehyde
CID 59072946
4-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
CID 54910083
1-methylphenanthrene-3-carbaldehyde
CID 100959540

Frequently Asked Questions

What is the IUPAC name of 2,3,7-trimethylindazole-5-carbaldehyde?
The IUPAC name of 2,3,7-trimethylindazole-5-carbaldehyde (CID 117110362) is 2,3,7-trimethylindazole-5-carbaldehyde.
What is the SMILES notation for 2,3,7-trimethylindazole-5-carbaldehyde?
The canonical SMILES for 2,3,7-trimethylindazole-5-carbaldehyde is Cc1cc(C=O)cc2c(C)n(C)nc12.
What is the InChIKey of 2,3,7-trimethylindazole-5-carbaldehyde?
The InChIKey is SGIDALLXHFMSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-4-9(6-14)5-10-8(2)13(3)12-11(7)10/h4-6H,1-3H3.
What are the key properties of 2,3,7-trimethylindazole-5-carbaldehyde?
2,3,7-trimethylindazole-5-carbaldehyde has a molecular weight of 188.23 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7-trimethylindazole-5-carbaldehyde is sourced from PubChem (CID 117110362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).