2-[(3-chlorophenyl)diazenyl]propanedial

C9H7ClN2O2 — CID 131877084

IUPAC2-[(3-chlorophenyl)diazenyl]propanedial
SMILESO=CC(C=O)/N=N/c1cccc(Cl)c1
InChIInChI=1S/C9H7ClN2O2/c10-7-2-1-3-8(4-7)11-12-9(5-13)6-14/h1-6,9H/b12-11+
InChIKeySUVXUUAEOLLLRC-VAWYXSNFSA-N
MW210.62 g/mol
LogP2.19
Rot. Bonds4

About 2-[(3-chlorophenyl)diazenyl]propanedial

2-[(3-chlorophenyl)diazenyl]propanedial (PubChem CID 131877084) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)diazenyl]propanedial.

Molecular Properties

Compound Name2-[(3-chlorophenyl)diazenyl]propanedial
PubChem CID131877084
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name2-[(3-chlorophenyl)diazenyl]propanedial
SMILESO=CC(C=O)/N=N/c1cccc(Cl)c1
InChIInChI=1S/C9H7ClN2O2/c10-7-2-1-3-8(4-7)11-12-9(5-13)6-14/h1-6,9H/b12-11+
InChIKeySUVXUUAEOLLLRC-VAWYXSNFSA-N
XLogP2.19
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)diazenyl]propanedial?
The IUPAC name of 2-[(3-chlorophenyl)diazenyl]propanedial (CID 131877084) is 2-[(3-chlorophenyl)diazenyl]propanedial.
What is the SMILES notation for 2-[(3-chlorophenyl)diazenyl]propanedial?
The canonical SMILES for 2-[(3-chlorophenyl)diazenyl]propanedial is O=CC(C=O)/N=N/c1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)diazenyl]propanedial?
The InChIKey is SUVXUUAEOLLLRC-VAWYXSNFSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c10-7-2-1-3-8(4-7)11-12-9(5-13)6-14/h1-6,9H/b12-11+.
What are the key properties of 2-[(3-chlorophenyl)diazenyl]propanedial?
2-[(3-chlorophenyl)diazenyl]propanedial has a molecular weight of 210.62 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)diazenyl]propanedial is sourced from PubChem (CID 131877084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).