4-methylsulfanyl-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol

C16H12N4O3S — CID 136661049

IUPAC4-methylsulfanyl-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol
SMILESCSc1cc(/N=N/c2ccc([N+](=O)[O-])cn2)c(O)c2ccccc12
InChIInChI=1S/C16H12N4O3S/c1-24-14-8-13(16(21)12-5-3-2-4-11(12)14)18-19-15-7-6-10(9-17-15)20(22)23/h2-9,21H,1H3/b19-18+
InChIKeyUOIVLLOGRDJPIC-VHEBQXMUSA-N
MW340.36 g/mol
LogP4.99
Rot. Bonds4

About 4-methylsulfanyl-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol

4-methylsulfanyl-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol (PubChem CID 136661049) has the molecular formula C16H12N4O3S and a molecular weight of 340.36 g/mol. Its IUPAC name is 4-methylsulfanyl-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-methylsulfanyl-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol
PubChem CID136661049
Molecular FormulaC16H12N4O3S
Molecular Weight340.36 g/mol
Exact Mass340.06
IUPAC Name4-methylsulfanyl-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol
SMILESCSc1cc(/N=N/c2ccc([N+](=O)[O-])cn2)c(O)c2ccccc12
InChIInChI=1S/C16H12N4O3S/c1-24-14-8-13(16(21)12-5-3-2-4-11(12)14)18-19-15-7-6-10(9-17-15)20(22)23/h2-9,21H,1H3/b19-18+
InChIKeyUOIVLLOGRDJPIC-VHEBQXMUSA-N
XLogP4.99
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

4-Hydroxy-3-[2-(2-pyridinyl)diazenyl]-1-naphthalenesulfonic acid
CID 82725
1-Naphthalenol, 2-[2-(5-nitro-2-pyridinyl)diazenyl]-
CID 135754927
Copper(II) 2-(2-pyridylazo)-1-naphthol-4-sulfonate
CID 163409676
1-Naphthalenol, 2-[2-(3-nitro-2-pyridinyl)diazenyl]-
CID 136241749
1-Naphthalenesulfonamide, 4-hydroxy-3-[2-(5-nitro-2-pyridinyl)diazenyl]-
CID 136661092
1,2-Naphthalenedione, 4-(4-hydroxy-3,5-dimethylphenyl)-, 2-[2-(5-nitro-2-pyridinyl)hydrazone]-
CID 136661120
2-[2-(5-Nitropyridin-2-yl)hydrazinyl]naphthalene-1,4-dione
CID 136665588
1-naphthalenesulfonamide, N-(1,1-dimethylethyl)-4-hydroxy-3-[2-(2-pyridinyl)diazenyl]-
CID 136666148
1-Naphthalenesulfonamide, 4-hydroxy-3-[2-(4-methyl-2-pyridinyl)diazenyl]-
CID 136666309
4-Hydroxy-3-[(3-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonic acid
CID 135702820
4-Hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide
CID 135706147
4-Chlorosulfonyl-2-(2-Pyridylazo)-1-Naphthol
CID 135789546

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol?
The IUPAC name of 4-methylsulfanyl-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol (CID 136661049) is 4-methylsulfanyl-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol.
What is the SMILES notation for 4-methylsulfanyl-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol?
The canonical SMILES for 4-methylsulfanyl-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol is CSc1cc(/N=N/c2ccc([N+](=O)[O-])cn2)c(O)c2ccccc12.
What is the InChIKey of 4-methylsulfanyl-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol?
The InChIKey is UOIVLLOGRDJPIC-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H12N4O3S/c1-24-14-8-13(16(21)12-5-3-2-4-11(12)14)18-19-15-7-6-10(9-17-15)20(22)23/h2-9,21H,1H3/b19-18+.
What are the key properties of 4-methylsulfanyl-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol?
4-methylsulfanyl-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol has a molecular weight of 340.36 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol is sourced from PubChem (CID 136661049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).