1-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol

C17H12N4O5 — CID 135431334

IUPAC1-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol
SMILESO=[N+]([O-])c1ccc(N/N=C/c2c(O)ccc3ccccc23)c([N+](=O)[O-])c1
InChIInChI=1S/C17H12N4O5/c22-17-8-5-11-3-1-2-4-13(11)14(17)10-18-19-15-7-6-12(20(23)24)9-16(15)21(25)26/h1-10,19,22H/b18-10+
InChIKeyLALSFJZZQVQYEH-VCHYOVAHSA-N
MW352.31 g/mol
LogP3.81
Rot. Bonds5

About 1-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol

1-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol (PubChem CID 135431334) has the molecular formula C17H12N4O5 and a molecular weight of 352.31 g/mol. Its IUPAC name is 1-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol
PubChem CID135431334
Molecular FormulaC17H12N4O5
Molecular Weight352.31 g/mol
Exact Mass352.08
IUPAC Name1-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol
SMILESO=[N+]([O-])c1ccc(N/N=C/c2c(O)ccc3ccccc23)c([N+](=O)[O-])c1
InChIInChI=1S/C17H12N4O5/c22-17-8-5-11-3-1-2-4-13(11)14(17)10-18-19-15-7-6-12(20(23)24)9-16(15)21(25)26/h1-10,19,22H/b18-10+
InChIKeyLALSFJZZQVQYEH-VCHYOVAHSA-N
XLogP3.81
TPSA130.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol (CID 135431334) is 1-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol is O=[N+]([O-])c1ccc(N/N=C/c2c(O)ccc3ccccc23)c([N+](=O)[O-])c1.
What is the InChIKey of 1-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol?
The InChIKey is LALSFJZZQVQYEH-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H12N4O5/c22-17-8-5-11-3-1-2-4-13(11)14(17)10-18-19-15-7-6-12(20(23)24)9-16(15)21(25)26/h1-10,19,22H/b18-10+.
What are the key properties of 1-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol?
1-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol has a molecular weight of 352.31 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol is sourced from PubChem (CID 135431334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).