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

C15H10N4O3 — CID 135754927

IUPAC2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc3ccccc3c2O)nc1
InChIInChI=1S/C15H10N4O3/c20-15-12-4-2-1-3-10(12)5-7-13(15)17-18-14-8-6-11(9-16-14)19(21)22/h1-9,20H/b18-17+
InChIKeyDENGNCSYWKBHFM-ISLYRVAYSA-N
MW294.27 g/mol
LogP4.26
Rot. Bonds3

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

2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol (PubChem CID 135754927) has the molecular formula C15H10N4O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol
PubChem CID135754927
Molecular FormulaC15H10N4O3
Molecular Weight294.27 g/mol
Exact Mass294.08
IUPAC Name2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc3ccccc3c2O)nc1
InChIInChI=1S/C15H10N4O3/c20-15-12-4-2-1-3-10(12)5-7-13(15)17-18-14-8-6-11(9-16-14)19(21)22/h1-9,20H/b18-17+
InChIKeyDENGNCSYWKBHFM-ISLYRVAYSA-N
XLogP4.26
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.26
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol?
The IUPAC name of 2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol (CID 135754927) is 2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol.
What is the SMILES notation for 2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol?
The canonical SMILES for 2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol is O=[N+]([O-])c1ccc(/N=N/c2ccc3ccccc3c2O)nc1.
What is the InChIKey of 2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol?
The InChIKey is DENGNCSYWKBHFM-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H10N4O3/c20-15-12-4-2-1-3-10(12)5-7-13(15)17-18-14-8-6-11(9-16-14)19(21)22/h1-9,20H/b18-17+.
What are the key properties of 2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol?
2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol has a molecular weight of 294.27 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-nitro-2-pyridinyl)diazenyl]naphthalen-1-ol is sourced from PubChem (CID 135754927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).