2-(3-chloroindazol-1-yl)acetaldehyde

C9H7ClN2O — CID 89325670

IUPAC2-(3-chloroindazol-1-yl)acetaldehyde
SMILESO=CCn1nc(Cl)c2ccccc21
InChIInChI=1S/C9H7ClN2O/c10-9-7-3-1-2-4-8(7)12(11-9)5-6-13/h1-4,6H,5H2
InChIKeyCXMVGTLPYGFRRE-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.89
Rot. Bonds2

About 2-(3-chloroindazol-1-yl)acetaldehyde

2-(3-chloroindazol-1-yl)acetaldehyde (PubChem CID 89325670) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 2-(3-chloroindazol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-chloroindazol-1-yl)acetaldehyde
PubChem CID89325670
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name2-(3-chloroindazol-1-yl)acetaldehyde
SMILESO=CCn1nc(Cl)c2ccccc21
InChIInChI=1S/C9H7ClN2O/c10-9-7-3-1-2-4-8(7)12(11-9)5-6-13/h1-4,6H,5H2
InChIKeyCXMVGTLPYGFRRE-UHFFFAOYSA-N
XLogP1.89
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.89
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-(3-chloroindazol-1-yl)acetaldehyde?
The IUPAC name of 2-(3-chloroindazol-1-yl)acetaldehyde (CID 89325670) is 2-(3-chloroindazol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(3-chloroindazol-1-yl)acetaldehyde?
The canonical SMILES for 2-(3-chloroindazol-1-yl)acetaldehyde is O=CCn1nc(Cl)c2ccccc21.
What is the InChIKey of 2-(3-chloroindazol-1-yl)acetaldehyde?
The InChIKey is CXMVGTLPYGFRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c10-9-7-3-1-2-4-8(7)12(11-9)5-6-13/h1-4,6H,5H2.
What are the key properties of 2-(3-chloroindazol-1-yl)acetaldehyde?
2-(3-chloroindazol-1-yl)acetaldehyde has a molecular weight of 194.62 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroindazol-1-yl)acetaldehyde is sourced from PubChem (CID 89325670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).