Basic information
- CAS
74037-43-7- Standard SMILES
Nc1ccc(N=Nc2ccccc2Cl)c(N)n1- InChIKey
FMSVBEHFAIKRNX-UHFFFAOYSA-N- Molecular formula
- C11H10ClN5
- Average molar mass
- 247.68 g/mol
- Monoisotopic mass
- 247.062473
Names & identifiers
- Preferred name
- Pyridine, 3-((o-chlorophenyl)azo)-2,6-diamino-
- IUPAC
- 3-[(2-chlorophenyl)diazenyl]pyridine-2,6-diamine
- English name
- 3-(o-Chlorophenylazo)-2,6-pyridinediamine
- Molecular formula
- C11H10ClN5
- Molecular weight
- 247.68
Names & synonyms
Pyridine, 3-((o-chlorophenyl)azo)-2,6-diamino-3-((o-Chlorophenyl)azo)-2,6-diaminopyridine74037-43-7MLS0007372542,6-Pyridinediamine, 3-((2-chlorophenyl)azo)-3-[(o-Chlorophenyl)azo]-2,6-diaminopyridineNSC 106208BRN 0483042NSC106208o-ChlorophenazopyridineSCHEMBL666286SCHEMBL666287
Show more names
3-(o-Chlorophenylazo)-2,6-pyridinediamine
CHEMBL1542691CHEMBL4296887SCHEMBL23483738SCHEMBL302605212, 3-[(2-chlorophenyl)azo]-FMSVBEHFAIKRNX-UHFFFAOYSA-NHMS2886H21NSC-106208
Database identifiers
- CAS
74037-43-7- PubChem CID
- 97205
- ChEMBL
CHEMBL1542691、CHEMBL4296887- Nikkaji
- J78.930E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 89.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Boiling point
- 481.901 · 481.901±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.459 · 1.459±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.853 · 3.853±0.50(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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