2-[(3,5,6-trichloro-2-pyridinyl)hydrazinylidene]acenaphthylen-1-one

C17H8Cl3N3O — CID 4272869

IUPAC2-[(3,5,6-trichloro-2-pyridinyl)hydrazinylidene]acenaphthylen-1-one
SMILESO=C1C(=NNc2nc(Cl)c(Cl)cc2Cl)c2cccc3cccc1c23
InChIInChI=1S/C17H8Cl3N3O/c18-11-7-12(19)17(21-16(11)20)23-22-14-9-5-1-3-8-4-2-6-10(13(8)9)15(14)24/h1-7H,(H,21,23)
InChIKeyNHRQPAWBPLIRIX-UHFFFAOYSA-N
MW376.63 g/mol
LogP5.21
Rot. Bonds2

About 2-[(3,5,6-trichloro-2-pyridinyl)hydrazinylidene]acenaphthylen-1-one

2-[(3,5,6-trichloro-2-pyridinyl)hydrazinylidene]acenaphthylen-1-one (PubChem CID 4272869) has the molecular formula C17H8Cl3N3O and a molecular weight of 376.63 g/mol. Its IUPAC name is 2-[(3,5,6-trichloro-2-pyridinyl)hydrazinylidene]acenaphthylen-1-one.

Molecular Properties

Compound Name2-[(3,5,6-trichloro-2-pyridinyl)hydrazinylidene]acenaphthylen-1-one
PubChem CID4272869
Molecular FormulaC17H8Cl3N3O
Molecular Weight376.63 g/mol
Exact Mass374.97
IUPAC Name2-[(3,5,6-trichloro-2-pyridinyl)hydrazinylidene]acenaphthylen-1-one
SMILESO=C1C(=NNc2nc(Cl)c(Cl)cc2Cl)c2cccc3cccc1c23
InChIInChI=1S/C17H8Cl3N3O/c18-11-7-12(19)17(21-16(11)20)23-22-14-9-5-1-3-8-4-2-6-10(13(8)9)15(14)24/h1-7H,(H,21,23)
InChIKeyNHRQPAWBPLIRIX-UHFFFAOYSA-N
XLogP5.21
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.63
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-[(3,5,6-trichloro-2-pyridinyl)hydrazinylidene]acenaphthylen-1-one?
The IUPAC name of 2-[(3,5,6-trichloro-2-pyridinyl)hydrazinylidene]acenaphthylen-1-one (CID 4272869) is 2-[(3,5,6-trichloro-2-pyridinyl)hydrazinylidene]acenaphthylen-1-one.
What is the SMILES notation for 2-[(3,5,6-trichloro-2-pyridinyl)hydrazinylidene]acenaphthylen-1-one?
The canonical SMILES for 2-[(3,5,6-trichloro-2-pyridinyl)hydrazinylidene]acenaphthylen-1-one is O=C1C(=NNc2nc(Cl)c(Cl)cc2Cl)c2cccc3cccc1c23.
What is the InChIKey of 2-[(3,5,6-trichloro-2-pyridinyl)hydrazinylidene]acenaphthylen-1-one?
The InChIKey is NHRQPAWBPLIRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8Cl3N3O/c18-11-7-12(19)17(21-16(11)20)23-22-14-9-5-1-3-8-4-2-6-10(13(8)9)15(14)24/h1-7H,(H,21,23).
What are the key properties of 2-[(3,5,6-trichloro-2-pyridinyl)hydrazinylidene]acenaphthylen-1-one?
2-[(3,5,6-trichloro-2-pyridinyl)hydrazinylidene]acenaphthylen-1-one has a molecular weight of 376.63 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5,6-trichloro-2-pyridinyl)hydrazinylidene]acenaphthylen-1-one is sourced from PubChem (CID 4272869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).