ethyl 6-amino-5-[(2,4-dichlorophenyl)methylideneamino]pyridine-3-carboxylate

C15H13Cl2N3O2 — CID 57309973

IUPACethyl 6-amino-5-[(2,4-dichlorophenyl)methylideneamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(N)c(/N=C/c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H13Cl2N3O2/c1-2-22-15(21)10-5-13(14(18)20-8-10)19-7-9-3-4-11(16)6-12(9)17/h3-8H,2H2,1H3,(H2,18,20)/b19-7+
InChIKeyVGMFMUZJXFAZTJ-FBCYGCLPSA-N
MW338.19 g/mol
LogP3.90
Rot. Bonds4

About ethyl 6-amino-5-[(2,4-dichlorophenyl)methylideneamino]pyridine-3-carboxylate

ethyl 6-amino-5-[(2,4-dichlorophenyl)methylideneamino]pyridine-3-carboxylate (PubChem CID 57309973) has the molecular formula C15H13Cl2N3O2 and a molecular weight of 338.19 g/mol. Its IUPAC name is ethyl 6-amino-5-[(2,4-dichlorophenyl)methylideneamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-5-[(2,4-dichlorophenyl)methylideneamino]pyridine-3-carboxylate
PubChem CID57309973
Molecular FormulaC15H13Cl2N3O2
Molecular Weight338.19 g/mol
Exact Mass337.04
IUPAC Nameethyl 6-amino-5-[(2,4-dichlorophenyl)methylideneamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(N)c(/N=C/c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H13Cl2N3O2/c1-2-22-15(21)10-5-13(14(18)20-8-10)19-7-9-3-4-11(16)6-12(9)17/h3-8H,2H2,1H3,(H2,18,20)/b19-7+
InChIKeyVGMFMUZJXFAZTJ-FBCYGCLPSA-N
XLogP3.90
TPSA77.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(E)-(2,4-dichlorophenyl)methylideneamino]oxyacetate
CID 173365405
ethyl 6-chloro-5-formylpyridine-3-carboxylate
CID 150533511
ethyl 2-(4-chloro-2-methylphenyl)pyrimidine-5-carboxylate
CID 174521887
ethyl 6-amino-5-iodopyridine-3-carboxylate
CID 67057368
ethyl 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]pyridine-4-carboxylate
CID 108755506
ethyl 6-(4-aminophenoxy)-5-chloropyridine-3-carboxylate
CID 121281075
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 7334458
2-[(2,4-dichlorophenyl)methylideneamino]-4,6-dimethylphenol
CID 779335
ethyl 4-[(2,4-dichloro-6-methoxyphenyl)methylideneamino]benzoate
CID 4863389
N-[(2,4-dichlorophenyl)methylideneamino]-3,4,5-triethoxybenzamide
CID 3460491
ethyl 6-chloro-3-fluoroquinoline-4-carboxylate
CID 164533136
ethyl 4-amino-7-chloroquinoline-3-carboxylate
CID 609428

Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-5-[(2,4-dichlorophenyl)methylideneamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-amino-5-[(2,4-dichlorophenyl)methylideneamino]pyridine-3-carboxylate (CID 57309973) is ethyl 6-amino-5-[(2,4-dichlorophenyl)methylideneamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-amino-5-[(2,4-dichlorophenyl)methylideneamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-amino-5-[(2,4-dichlorophenyl)methylideneamino]pyridine-3-carboxylate is CCOC(=O)c1cnc(N)c(/N=C/c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of ethyl 6-amino-5-[(2,4-dichlorophenyl)methylideneamino]pyridine-3-carboxylate?
The InChIKey is VGMFMUZJXFAZTJ-FBCYGCLPSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2/c1-2-22-15(21)10-5-13(14(18)20-8-10)19-7-9-3-4-11(16)6-12(9)17/h3-8H,2H2,1H3,(H2,18,20)/b19-7+.
What are the key properties of ethyl 6-amino-5-[(2,4-dichlorophenyl)methylideneamino]pyridine-3-carboxylate?
ethyl 6-amino-5-[(2,4-dichlorophenyl)methylideneamino]pyridine-3-carboxylate has a molecular weight of 338.19 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-5-[(2,4-dichlorophenyl)methylideneamino]pyridine-3-carboxylate is sourced from PubChem (CID 57309973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).