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

C18H15ClN2O4 — CID 167998662

IUPACethyl 4-(2-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate
SMILES[H]/N=c1\oc2cc(C)[nH]c(=O)c2c(-c2ccccc2Cl)c1C(=O)OCC
InChIInChI=1S/C18H15ClN2O4/c1-3-24-18(23)15-13(10-6-4-5-7-11(10)19)14-12(25-16(15)20)8-9(2)21-17(14)22/h4-8,20H,3H2,1-2H3,(H,21,22)/b20-16-
InChIKeyAGUDVHOHDSWNAQ-SILNSSARSA-N
MW358.78 g/mol
LogP3.41
Rot. Bonds3

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

ethyl 4-(2-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 167998662) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is ethyl 4-(2-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate
PubChem CID167998662
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC Nameethyl 4-(2-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate
SMILES[H]/N=c1\oc2cc(C)[nH]c(=O)c2c(-c2ccccc2Cl)c1C(=O)OCC
InChIInChI=1S/C18H15ClN2O4/c1-3-24-18(23)15-13(10-6-4-5-7-11(10)19)14-12(25-16(15)20)8-9(2)21-17(14)22/h4-8,20H,3H2,1-2H3,(H,21,22)/b20-16-
InChIKeyAGUDVHOHDSWNAQ-SILNSSARSA-N
XLogP3.41
TPSA96.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(2-chlorophenyl)-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-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 70688818
methyl 4-(4-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate
CID 137257805
ethyl 5-(2-chlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 110272903
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
4-(3-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 137266371
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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 4-(2-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate (CID 167998662) is ethyl 4-(2-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(2-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate is [H]/N=c1\oc2cc(C)[nH]c(=O)c2c(-c2ccccc2Cl)c1C(=O)OCC.
What is the InChIKey of ethyl 4-(2-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is AGUDVHOHDSWNAQ-SILNSSARSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c1-3-24-18(23)15-13(10-6-4-5-7-11(10)19)14-12(25-16(15)20)8-9(2)21-17(14)22/h4-8,20H,3H2,1-2H3,(H,21,22)/b20-16-.
What are the key properties of ethyl 4-(2-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate?
ethyl 4-(2-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 358.78 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 167998662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).