4-chloro-7-methyl-2H-indazole-3-carbaldehyde

C9H7ClN2O — CID 24729302

IUPAC4-chloro-7-methyl-2H-indazole-3-carbaldehyde
SMILESCc1ccc(Cl)c2c(C=O)[nH]nc12
InChIInChI=1S/C9H7ClN2O/c1-5-2-3-6(10)8-7(4-13)11-12-9(5)8/h2-4H,1H3,(H,11,12)
InChIKeyZXDYFDLFHVNOOI-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.34
Rot. Bonds1

About 4-chloro-7-methyl-2H-indazole-3-carbaldehyde

4-chloro-7-methyl-2H-indazole-3-carbaldehyde (PubChem CID 24729302) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 4-chloro-7-methyl-2H-indazole-3-carbaldehyde.

Molecular Properties

Compound Name4-chloro-7-methyl-2H-indazole-3-carbaldehyde
PubChem CID24729302
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name4-chloro-7-methyl-2H-indazole-3-carbaldehyde
SMILESCc1ccc(Cl)c2c(C=O)[nH]nc12
InChIInChI=1S/C9H7ClN2O/c1-5-2-3-6(10)8-7(4-13)11-12-9(5)8/h2-4H,1H3,(H,11,12)
InChIKeyZXDYFDLFHVNOOI-UHFFFAOYSA-N
XLogP2.34
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-chloro-7-methyl-2H-indazole-3-carbaldehyde?
The IUPAC name of 4-chloro-7-methyl-2H-indazole-3-carbaldehyde (CID 24729302) is 4-chloro-7-methyl-2H-indazole-3-carbaldehyde.
What is the SMILES notation for 4-chloro-7-methyl-2H-indazole-3-carbaldehyde?
The canonical SMILES for 4-chloro-7-methyl-2H-indazole-3-carbaldehyde is Cc1ccc(Cl)c2c(C=O)[nH]nc12.
What is the InChIKey of 4-chloro-7-methyl-2H-indazole-3-carbaldehyde?
The InChIKey is ZXDYFDLFHVNOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-5-2-3-6(10)8-7(4-13)11-12-9(5)8/h2-4H,1H3,(H,11,12).
What are the key properties of 4-chloro-7-methyl-2H-indazole-3-carbaldehyde?
4-chloro-7-methyl-2H-indazole-3-carbaldehyde has a molecular weight of 194.62 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methyl-2H-indazole-3-carbaldehyde is sourced from PubChem (CID 24729302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).