4-(2,5-diaminophenyl)benzaldehyde

C13H12N2O — CID 22256119

IUPAC4-(2,5-diaminophenyl)benzaldehyde
SMILESNc1ccc(N)c(-c2ccc(C=O)cc2)c1
InChIInChI=1S/C13H12N2O/c14-11-5-6-13(15)12(7-11)10-3-1-9(8-16)2-4-10/h1-8H,14-15H2
InChIKeyYPKACAWJKWWAMW-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.33
Rot. Bonds2

About 4-(2,5-diaminophenyl)benzaldehyde

4-(2,5-diaminophenyl)benzaldehyde (PubChem CID 22256119) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-(2,5-diaminophenyl)benzaldehyde.

Molecular Properties

Compound Name4-(2,5-diaminophenyl)benzaldehyde
PubChem CID22256119
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name4-(2,5-diaminophenyl)benzaldehyde
SMILESNc1ccc(N)c(-c2ccc(C=O)cc2)c1
InChIInChI=1S/C13H12N2O/c14-11-5-6-13(15)12(7-11)10-3-1-9(8-16)2-4-10/h1-8H,14-15H2
InChIKeyYPKACAWJKWWAMW-UHFFFAOYSA-N
XLogP2.33
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-diaminophenyl)benzaldehyde?
The IUPAC name of 4-(2,5-diaminophenyl)benzaldehyde (CID 22256119) is 4-(2,5-diaminophenyl)benzaldehyde.
What is the SMILES notation for 4-(2,5-diaminophenyl)benzaldehyde?
The canonical SMILES for 4-(2,5-diaminophenyl)benzaldehyde is Nc1ccc(N)c(-c2ccc(C=O)cc2)c1.
What is the InChIKey of 4-(2,5-diaminophenyl)benzaldehyde?
The InChIKey is YPKACAWJKWWAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c14-11-5-6-13(15)12(7-11)10-3-1-9(8-16)2-4-10/h1-8H,14-15H2.
What are the key properties of 4-(2,5-diaminophenyl)benzaldehyde?
4-(2,5-diaminophenyl)benzaldehyde has a molecular weight of 212.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-diaminophenyl)benzaldehyde is sourced from PubChem (CID 22256119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).