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

C17H12Cl2N2O4 — CID 137257800

IUPACmethyl 4-(3,4-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)c(Cl)c2)c1C(=O)OC
InChIInChI=1S/C17H12Cl2N2O4/c1-7-5-11-13(16(22)21-7)12(8-3-4-9(18)10(19)6-8)14(15(20)25-11)17(23)24-2/h3-6,20H,1-2H3,(H,21,22)/b20-15-
InChIKeyXYLBFOJHMFAHTO-HKWRFOASSA-N
MW379.20 g/mol
LogP3.67
Rot. Bonds2

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

methyl 4-(3,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 137257800) has the molecular formula C17H12Cl2N2O4 and a molecular weight of 379.20 g/mol. Its IUPAC name is methyl 4-(3,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate
PubChem CID137257800
Molecular FormulaC17H12Cl2N2O4
Molecular Weight379.20 g/mol
Exact Mass378.02
IUPAC Namemethyl 4-(3,4-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)c(Cl)c2)c1C(=O)OC
InChIInChI=1S/C17H12Cl2N2O4/c1-7-5-11-13(16(22)21-7)12(8-3-4-9(18)10(19)6-8)14(15(20)25-11)17(23)24-2/h3-6,20H,1-2H3,(H,21,22)/b20-15-
InChIKeyXYLBFOJHMFAHTO-HKWRFOASSA-N
XLogP3.67
TPSA96.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

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
ethyl 5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylate
CID 144633167
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-(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-(3,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 137268810
4-(4-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 137270626
ethyl 4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate
CID 167997321

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of methyl 4-(3,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate (CID 137257800) is methyl 4-(3,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(3,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-(3,4-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)c(Cl)c2)c1C(=O)OC.
What is the InChIKey of methyl 4-(3,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is XYLBFOJHMFAHTO-HKWRFOASSA-N. The full InChI is InChI=1S/C17H12Cl2N2O4/c1-7-5-11-13(16(22)21-7)12(8-3-4-9(18)10(19)6-8)14(15(20)25-11)17(23)24-2/h3-6,20H,1-2H3,(H,21,22)/b20-15-.
What are the key properties of methyl 4-(3,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate?
methyl 4-(3,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 379.20 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 137257800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).