[1-[(pyridine-4-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate

C24H15Cl2N3O3 — CID 4987854

IUPAC[1-[(pyridine-4-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
SMILESO=C(NN=Cc1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccncc1
InChIInChI=1S/C24H15Cl2N3O3/c25-17-6-7-19(21(26)13-17)24(31)32-22-8-5-15-3-1-2-4-18(15)20(22)14-28-29-23(30)16-9-11-27-12-10-16/h1-14H,(H,29,30)
InChIKeySABBXZOOSAGQEK-UHFFFAOYSA-N
MW464.31 g/mol
LogP5.52
Rot. Bonds5

About [1-[(pyridine-4-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate

[1-[(pyridine-4-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate (PubChem CID 4987854) has the molecular formula C24H15Cl2N3O3 and a molecular weight of 464.31 g/mol. Its IUPAC name is [1-[(pyridine-4-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[1-[(pyridine-4-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
PubChem CID4987854
Molecular FormulaC24H15Cl2N3O3
Molecular Weight464.31 g/mol
Exact Mass463.05
IUPAC Name[1-[(pyridine-4-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
SMILESO=C(NN=Cc1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccncc1
InChIInChI=1S/C24H15Cl2N3O3/c25-17-6-7-19(21(26)13-17)24(31)32-22-8-5-15-3-1-2-4-18(15)20(22)14-28-29-23(30)16-9-11-27-12-10-16/h1-14H,(H,29,30)
InChIKeySABBXZOOSAGQEK-UHFFFAOYSA-N
XLogP5.52
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.31
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[1-[[(4-bromobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 3743667
[1-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 6305314
[1-[[(2-methoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 3739553
[1-[[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 3760583
[1-[[[2-(4-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 5092147
[1-[(tetradecanoylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 3833996
[1-[(Z)-(dodecanoylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 6241959
[1-[(Z)-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 6060146
[1-[(E)-[(4-bromobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
CID 45054760
[1-[(E)-[2-(4-phenylphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 51060167
[1-[(benzoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
CID 3442368
[1-[(2-chlorophenyl)iminomethyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 3950984

Frequently Asked Questions

What is the IUPAC name of [1-[(pyridine-4-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate?
The IUPAC name of [1-[(pyridine-4-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate (CID 4987854) is [1-[(pyridine-4-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate.
What is the SMILES notation for [1-[(pyridine-4-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate?
The canonical SMILES for [1-[(pyridine-4-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate is O=C(NN=Cc1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccncc1.
What is the InChIKey of [1-[(pyridine-4-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate?
The InChIKey is SABBXZOOSAGQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2N3O3/c25-17-6-7-19(21(26)13-17)24(31)32-22-8-5-15-3-1-2-4-18(15)20(22)14-28-29-23(30)16-9-11-27-12-10-16/h1-14H,(H,29,30).
What are the key properties of [1-[(pyridine-4-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate?
[1-[(pyridine-4-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate has a molecular weight of 464.31 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(pyridine-4-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate is sourced from PubChem (CID 4987854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).