2-ethylindazole-5-carbaldehyde

C10H10N2O — CID 84717515

IUPAC2-ethylindazole-5-carbaldehyde
SMILESCCn1cc2cc(C=O)ccc2n1
InChIInChI=1S/C10H10N2O/c1-2-12-6-9-5-8(7-13)3-4-10(9)11-12/h3-7H,2H2,1H3
InChIKeyCMVMCKLDAJZUOF-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.87
Rot. Bonds2

About 2-ethylindazole-5-carbaldehyde

2-ethylindazole-5-carbaldehyde (PubChem CID 84717515) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-ethylindazole-5-carbaldehyde.

Molecular Properties

Compound Name2-ethylindazole-5-carbaldehyde
PubChem CID84717515
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2-ethylindazole-5-carbaldehyde
SMILESCCn1cc2cc(C=O)ccc2n1
InChIInChI=1S/C10H10N2O/c1-2-12-6-9-5-8(7-13)3-4-10(9)11-12/h3-7H,2H2,1H3
InChIKeyCMVMCKLDAJZUOF-UHFFFAOYSA-N
XLogP1.87
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylindazole-5-carbaldehyde?
The IUPAC name of 2-ethylindazole-5-carbaldehyde (CID 84717515) is 2-ethylindazole-5-carbaldehyde.
What is the SMILES notation for 2-ethylindazole-5-carbaldehyde?
The canonical SMILES for 2-ethylindazole-5-carbaldehyde is CCn1cc2cc(C=O)ccc2n1.
What is the InChIKey of 2-ethylindazole-5-carbaldehyde?
The InChIKey is CMVMCKLDAJZUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-2-12-6-9-5-8(7-13)3-4-10(9)11-12/h3-7H,2H2,1H3.
What are the key properties of 2-ethylindazole-5-carbaldehyde?
2-ethylindazole-5-carbaldehyde has a molecular weight of 174.20 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylindazole-5-carbaldehyde is sourced from PubChem (CID 84717515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).