1-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol

C16H10ClN3O4 — CID 135571121

IUPAC1-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol
SMILESO=[N+]([O-])c1cc(O)c(/N=N/c2c(O)ccc3ccccc23)cc1Cl
InChIInChI=1S/C16H10ClN3O4/c17-11-7-12(15(22)8-13(11)20(23)24)18-19-16-10-4-2-1-3-9(10)5-6-14(16)21/h1-8,21-22H/b19-18+
InChIKeyPXTGGWOMAKLQQK-VHEBQXMUSA-N
MW343.73 g/mol
LogP5.23
Rot. Bonds3

About 1-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol

1-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol (PubChem CID 135571121) has the molecular formula C16H10ClN3O4 and a molecular weight of 343.73 g/mol. Its IUPAC name is 1-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol
PubChem CID135571121
Molecular FormulaC16H10ClN3O4
Molecular Weight343.73 g/mol
Exact Mass343.04
IUPAC Name1-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol
SMILESO=[N+]([O-])c1cc(O)c(/N=N/c2c(O)ccc3ccccc23)cc1Cl
InChIInChI=1S/C16H10ClN3O4/c17-11-7-12(15(22)8-13(11)20(23)24)18-19-16-10-4-2-1-3-9(10)5-6-14(16)21/h1-8,21-22H/b19-18+
InChIKeyPXTGGWOMAKLQQK-VHEBQXMUSA-N
XLogP5.23
TPSA108.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.73
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
ethyl 4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-nitrobenzoate
CID 3020408
sodium;hydride;1-[[2-hydroxy-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl]naphthalen-2-ol
CID 173461960
1-[(2,4-dichloro-6-hydroxyphenyl)diazenyl]naphthalen-2-ol
CID 135727362
sodium 2-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-nitrobenzenesulfonate
CID 136784995
(2-chloronaphthalen-1-yl)-(2-chloro-4-nitrophenyl)diazene
CID 14062040
barium(2+);bis(4-chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-methylbenzenesulfonic acid)
CID 165415560
5-chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylbenzenesulfonate
CID 139595511
1-[[2-hydroxy-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl]naphthalen-2-ol;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;iron
CID 167455339
4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonic acid
CID 19238
CID 137235039
CID 137235039
sodium 5-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate
CID 135488958

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol (CID 135571121) is 1-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol is O=[N+]([O-])c1cc(O)c(/N=N/c2c(O)ccc3ccccc23)cc1Cl.
What is the InChIKey of 1-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol?
The InChIKey is PXTGGWOMAKLQQK-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H10ClN3O4/c17-11-7-12(15(22)8-13(11)20(23)24)18-19-16-10-4-2-1-3-9(10)5-6-14(16)21/h1-8,21-22H/b19-18+.
What are the key properties of 1-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol?
1-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol has a molecular weight of 343.73 g/mol, XLogP of 5.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 135571121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).