2-(4-methylphenyl)indazole-6-carbaldehyde

C15H12N2O — CID 134163737

IUPAC2-(4-methylphenyl)indazole-6-carbaldehyde
SMILESCc1ccc(-n2cc3ccc(C=O)cc3n2)cc1
InChIInChI=1S/C15H12N2O/c1-11-2-6-14(7-3-11)17-9-13-5-4-12(10-18)8-15(13)16-17/h2-10H,1H3
InChIKeyMSISCKNYUXVKSV-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.15
Rot. Bonds2

About 2-(4-methylphenyl)indazole-6-carbaldehyde

2-(4-methylphenyl)indazole-6-carbaldehyde (PubChem CID 134163737) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(4-methylphenyl)indazole-6-carbaldehyde.

Molecular Properties

Compound Name2-(4-methylphenyl)indazole-6-carbaldehyde
PubChem CID134163737
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name2-(4-methylphenyl)indazole-6-carbaldehyde
SMILESCc1ccc(-n2cc3ccc(C=O)cc3n2)cc1
InChIInChI=1S/C15H12N2O/c1-11-2-6-14(7-3-11)17-9-13-5-4-12(10-18)8-15(13)16-17/h2-10H,1H3
InChIKeyMSISCKNYUXVKSV-UHFFFAOYSA-N
XLogP3.15
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.15
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

2-(4-methylphenyl)-6-nitroindazole
CID 620060
2-propan-2-ylindazole-6-carbaldehyde
CID 84719145
6-methylnaphthalene-2-carbaldehyde
CID 6452268
6-methylquinoxaline;quinoxaline-6-carbaldehyde
CID 157496961
5,6-dimethyl-2-phenylindazole
CID 135006746
sodium;hydride;4-methylbenzaldehyde
CID 173013137
6-chloro-2-phenylindazole
CID 58529873
6-methylanthracene-2-carbaldehyde
CID 156805593
1-(4-methylphenyl)pyrazole-3-carbaldehyde
CID 13432477
1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde
CID 3827316
4-(5-methyl-1,3-dioxoisoindol-2-yl)benzaldehyde
CID 106913647
1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 1051907

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)indazole-6-carbaldehyde?
The IUPAC name of 2-(4-methylphenyl)indazole-6-carbaldehyde (CID 134163737) is 2-(4-methylphenyl)indazole-6-carbaldehyde.
What is the SMILES notation for 2-(4-methylphenyl)indazole-6-carbaldehyde?
The canonical SMILES for 2-(4-methylphenyl)indazole-6-carbaldehyde is Cc1ccc(-n2cc3ccc(C=O)cc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)indazole-6-carbaldehyde?
The InChIKey is MSISCKNYUXVKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-11-2-6-14(7-3-11)17-9-13-5-4-12(10-18)8-15(13)16-17/h2-10H,1H3.
What are the key properties of 2-(4-methylphenyl)indazole-6-carbaldehyde?
2-(4-methylphenyl)indazole-6-carbaldehyde has a molecular weight of 236.27 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)indazole-6-carbaldehyde is sourced from PubChem (CID 134163737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).