1-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]naphthalen-2-ol

C16H12N4O3 — CID 135408599

IUPAC1-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]naphthalen-2-ol
SMILESO=[N+]([O-])c1ccc(N/N=C/c2c(O)ccc3ccccc23)nc1
InChIInChI=1S/C16H12N4O3/c21-15-7-5-11-3-1-2-4-13(11)14(15)10-18-19-16-8-6-12(9-17-16)20(22)23/h1-10,21H,(H,17,19)/b18-10+
InChIKeyHGHRJXYLWZISLR-VCHYOVAHSA-N
MW308.30 g/mol
LogP3.29
Rot. Bonds4

About 1-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]naphthalen-2-ol

1-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]naphthalen-2-ol (PubChem CID 135408599) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]naphthalen-2-ol
PubChem CID135408599
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC Name1-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]naphthalen-2-ol
SMILESO=[N+]([O-])c1ccc(N/N=C/c2c(O)ccc3ccccc23)nc1
InChIInChI=1S/C16H12N4O3/c21-15-7-5-11-3-1-2-4-13(11)14(15)10-18-19-16-8-6-12(9-17-16)20(22)23/h1-10,21H,(H,17,19)/b18-10+
InChIKeyHGHRJXYLWZISLR-VCHYOVAHSA-N
XLogP3.29
TPSA100.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 1-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]naphthalen-2-ol (CID 135408599) is 1-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]naphthalen-2-ol is O=[N+]([O-])c1ccc(N/N=C/c2c(O)ccc3ccccc23)nc1.
What is the InChIKey of 1-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]naphthalen-2-ol?
The InChIKey is HGHRJXYLWZISLR-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H12N4O3/c21-15-7-5-11-3-1-2-4-13(11)14(15)10-18-19-16-8-6-12(9-17-16)20(22)23/h1-10,21H,(H,17,19)/b18-10+.
What are the key properties of 1-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]naphthalen-2-ol?
1-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]naphthalen-2-ol has a molecular weight of 308.30 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]naphthalen-2-ol is sourced from PubChem (CID 135408599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).