ethyl 4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate

C18H14Cl2N2O4 — CID 167997321

IUPACethyl 4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate
SMILES[H]/N=c1\oc2cc(C)[nH]c(=O)c2c(-c2ccc(Cl)cc2Cl)c1C(=O)OCC
InChIInChI=1S/C18H14Cl2N2O4/c1-3-25-18(24)15-13(10-5-4-9(19)7-11(10)20)14-12(26-16(15)21)6-8(2)22-17(14)23/h4-7,21H,3H2,1-2H3,(H,22,23)/b21-16-
InChIKeyVLIJEQWVWXFYIA-PGMHBOJBSA-N
MW393.23 g/mol
LogP4.06
Rot. Bonds3

About ethyl 4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate

ethyl 4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 167997321) has the molecular formula C18H14Cl2N2O4 and a molecular weight of 393.23 g/mol. Its IUPAC name is ethyl 4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate
PubChem CID167997321
Molecular FormulaC18H14Cl2N2O4
Molecular Weight393.23 g/mol
Exact Mass392.03
IUPAC Nameethyl 4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate
SMILES[H]/N=c1\oc2cc(C)[nH]c(=O)c2c(-c2ccc(Cl)cc2Cl)c1C(=O)OCC
InChIInChI=1S/C18H14Cl2N2O4/c1-3-25-18(24)15-13(10-5-4-9(19)7-11(10)20)14-12(26-16(15)21)6-8(2)22-17(14)23/h4-7,21H,3H2,1-2H3,(H,22,23)/b21-16-
InChIKeyVLIJEQWVWXFYIA-PGMHBOJBSA-N
XLogP4.06
TPSA96.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 5-[(2,4-dichlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 70697129
[3-[3-(2,4-Dichlorophenyl)propanoylamino]-4-methyl-2-oxo-1-benzazepin-5-yl] acetate
CID 88366493
ethyl 5-(2,4-dichlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 110272902
methyl 2-imino-7-methyl-5-oxo-4-phenyl-6H-pyrano[3,2-c]pyridine-3-carboxylate
CID 137257798
methyl 4-(3-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate
CID 137257799
methyl 4-(3,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate
CID 137257800
methyl 4-(2,3-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate
CID 137257801
methyl 4-(2-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate
CID 137257803
methyl 4-(4-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate
CID 137268804
4-(4-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 137270626
4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 137270631
4-(2,6-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 137270634

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate (CID 167997321) is ethyl 4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate is [H]/N=c1\oc2cc(C)[nH]c(=O)c2c(-c2ccc(Cl)cc2Cl)c1C(=O)OCC.
What is the InChIKey of ethyl 4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is VLIJEQWVWXFYIA-PGMHBOJBSA-N. The full InChI is InChI=1S/C18H14Cl2N2O4/c1-3-25-18(24)15-13(10-5-4-9(19)7-11(10)20)14-12(26-16(15)21)6-8(2)22-17(14)23/h4-7,21H,3H2,1-2H3,(H,22,23)/b21-16-.
What are the key properties of ethyl 4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate?
ethyl 4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 393.23 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 167997321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).