(2-chloronaphthalen-1-yl)-(2-chloro-4-nitrophenyl)diazene

C16H9Cl2N3O2 — CID 14062040

IUPAC(2-chloronaphthalen-1-yl)-(2-chloro-4-nitrophenyl)diazene
SMILESO=[N+]([O-])c1ccc(/N=N/c2c(Cl)ccc3ccccc23)c(Cl)c1
InChIInChI=1S/C16H9Cl2N3O2/c17-13-7-5-10-3-1-2-4-12(10)16(13)20-19-15-8-6-11(21(22)23)9-14(15)18/h1-9H/b20-19+
InChIKeyBHWKUTBKIDMJQJ-FMQUCBEESA-N
MW346.17 g/mol
LogP6.47
Rot. Bonds3

About (2-chloronaphthalen-1-yl)-(2-chloro-4-nitrophenyl)diazene

(2-chloronaphthalen-1-yl)-(2-chloro-4-nitrophenyl)diazene (PubChem CID 14062040) has the molecular formula C16H9Cl2N3O2 and a molecular weight of 346.17 g/mol. Its IUPAC name is (2-chloronaphthalen-1-yl)-(2-chloro-4-nitrophenyl)diazene.

Molecular Properties

Compound Name(2-chloronaphthalen-1-yl)-(2-chloro-4-nitrophenyl)diazene
PubChem CID14062040
Molecular FormulaC16H9Cl2N3O2
Molecular Weight346.17 g/mol
Exact Mass345.01
IUPAC Name(2-chloronaphthalen-1-yl)-(2-chloro-4-nitrophenyl)diazene
SMILESO=[N+]([O-])c1ccc(/N=N/c2c(Cl)ccc3ccccc23)c(Cl)c1
InChIInChI=1S/C16H9Cl2N3O2/c17-13-7-5-10-3-1-2-4-12(10)16(13)20-19-15-8-6-11(21(22)23)9-14(15)18/h1-9H/b20-19+
InChIKeyBHWKUTBKIDMJQJ-FMQUCBEESA-N
XLogP6.47
TPSA67.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.17
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;iron
CID 167455353
sodium;chromium(3+);1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate;1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate
CID 86290247
[9-(2-chloroethyl)carbazol-3-yl]-(2-chloro-4-nitrophenyl)diazene
CID 86079697
1-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol
CID 135571121
4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonic acid
CID 19238
(2,4-dimethyl-6-nitronaphthalen-1-yl)-(2-methylnaphthalen-1-yl)diazene
CID 118100515
N-(2-chloro-4-nitrophenyl)methanimine
CID 142216814
1-chloro-3-nitronaphthalene
CID 13462997
[1-[(1-hydroxynaphthalen-2-yl)diazenyl]-6-nitronaphthalen-2-yl] hydrogen sulfite
CID 174579795
cobalt(3+);2-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-1-olate;2-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-1-olate
CID 170842552
N-(2-chloro-4-nitrophenyl)-1-phenylmethanimine
CID 95564004
10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol
CID 136691071

Frequently Asked Questions

What is the IUPAC name of (2-chloronaphthalen-1-yl)-(2-chloro-4-nitrophenyl)diazene?
The IUPAC name of (2-chloronaphthalen-1-yl)-(2-chloro-4-nitrophenyl)diazene (CID 14062040) is (2-chloronaphthalen-1-yl)-(2-chloro-4-nitrophenyl)diazene.
What is the SMILES notation for (2-chloronaphthalen-1-yl)-(2-chloro-4-nitrophenyl)diazene?
The canonical SMILES for (2-chloronaphthalen-1-yl)-(2-chloro-4-nitrophenyl)diazene is O=[N+]([O-])c1ccc(/N=N/c2c(Cl)ccc3ccccc23)c(Cl)c1.
What is the InChIKey of (2-chloronaphthalen-1-yl)-(2-chloro-4-nitrophenyl)diazene?
The InChIKey is BHWKUTBKIDMJQJ-FMQUCBEESA-N. The full InChI is InChI=1S/C16H9Cl2N3O2/c17-13-7-5-10-3-1-2-4-12(10)16(13)20-19-15-8-6-11(21(22)23)9-14(15)18/h1-9H/b20-19+.
What are the key properties of (2-chloronaphthalen-1-yl)-(2-chloro-4-nitrophenyl)diazene?
(2-chloronaphthalen-1-yl)-(2-chloro-4-nitrophenyl)diazene has a molecular weight of 346.17 g/mol, XLogP of 6.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloronaphthalen-1-yl)-(2-chloro-4-nitrophenyl)diazene is sourced from PubChem (CID 14062040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).