ethyl 5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylate

C15H12Cl2N2O3 — CID 144633167

IUPACethyl 5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylate
SMILES[H]/N=C(\c1ccc(Cl)c(Cl)c1)c1ccc(C(=O)OCC)[nH]c1=O
InChIInChI=1S/C15H12Cl2N2O3/c1-2-22-15(21)12-6-4-9(14(20)19-12)13(18)8-3-5-10(16)11(17)7-8/h3-7,18H,2H2,1H3,(H,19,20)/b18-13+
InChIKeyJXMUBDROMUWEFT-QGOAFFKASA-N
MW339.18 g/mol
LogP3.27
Rot. Bonds4

About ethyl 5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylate

ethyl 5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylate (PubChem CID 144633167) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is ethyl 5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylate
PubChem CID144633167
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Nameethyl 5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylate
SMILES[H]/N=C(\c1ccc(Cl)c(Cl)c1)c1ccc(C(=O)OCC)[nH]c1=O
InChIInChI=1S/C15H12Cl2N2O3/c1-2-22-15(21)12-6-4-9(14(20)19-12)13(18)8-3-5-10(16)11(17)7-8/h3-7,18H,2H2,1H3,(H,19,20)/b18-13+
InChIKeyJXMUBDROMUWEFT-QGOAFFKASA-N
XLogP3.27
TPSA83.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide
CID 57022206
Ethyl 7-amino-2-[(3,4-dichlorobenzoyl)amino]-7-oxohept-2-enoate
CID 69590950
methyl 5-[(2,5-dichlorophenyl)methyl]-6-oxo-1H-pyridine-2-carboxylate
CID 89646479
methyl 5-(4-chlorophenyl)-6-oxo-1H-pyridine-2-carboxylate
CID 125488729
methyl 5-[(3,4-dichlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 129080069
ethyl 5-[(3,4-dichlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 129080094
5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 144633161
Ethyl 2-[(3,4-dichlorobenzoyl)amino]-3-methylbut-2-enoate
CID 13689932
ethyl 7,8-dichloro-1-oxo-2H-isoquinoline-3-carboxylate
CID 14027810
methyl 6-oxo-5-(2,4,5-trichlorophenyl)-1H-pyridine-2-carboxylate
CID 133091436
methyl 6-oxo-5-(2,3,4-trichlorophenyl)-1H-pyridine-2-carboxylate
CID 133092499
methyl 6-oxo-5-(3,4,5-trichlorophenyl)-1H-pyridine-2-carboxylate
CID 133092501

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylate?
The IUPAC name of ethyl 5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylate (CID 144633167) is ethyl 5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylate is [H]/N=C(\c1ccc(Cl)c(Cl)c1)c1ccc(C(=O)OCC)[nH]c1=O.
What is the InChIKey of ethyl 5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylate?
The InChIKey is JXMUBDROMUWEFT-QGOAFFKASA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c1-2-22-15(21)12-6-4-9(14(20)19-12)13(18)8-3-5-10(16)11(17)7-8/h3-7,18H,2H2,1H3,(H,19,20)/b18-13+.
What are the key properties of ethyl 5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylate?
ethyl 5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylate has a molecular weight of 339.18 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylate is sourced from PubChem (CID 144633167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).