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

C17H13ClN2O4 — CID 137268804

IUPACmethyl 4-(4-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(-c2ccc(Cl)cc2)c1C(=O)OC
InChIInChI=1S/C17H13ClN2O4/c1-8-7-11-13(16(21)20-8)12(9-3-5-10(18)6-4-9)14(15(19)24-11)17(22)23-2/h3-7,19H,1-2H3,(H,20,21)/b19-15-
InChIKeyQWYBPFAOILMHNV-CYVLTUHYSA-N
MW344.75 g/mol
LogP3.02
Rot. Bonds2

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

methyl 4-(4-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 137268804) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is methyl 4-(4-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate
PubChem CID137268804
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC Namemethyl 4-(4-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(-c2ccc(Cl)cc2)c1C(=O)OC
InChIInChI=1S/C17H13ClN2O4/c1-8-7-11-13(16(21)20-8)12(9-3-5-10(18)6-4-9)14(15(19)24-11)17(22)23-2/h3-7,19H,1-2H3,(H,20,21)/b19-15-
InChIKeyQWYBPFAOILMHNV-CYVLTUHYSA-N
XLogP3.02
TPSA96.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

methyl 4-(4-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate
CID 137257805
Methyl 7-(4-chlorophenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 17036303
methyl (7S)-7-(4-chlorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 42570880
methyl (7R)-7-(4-chlorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 42570881
methyl 2-azanyl-4-(4-chlorophenyl)-6,7-dimethyl-5-oxidanylidene-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 91896274
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
4-(3,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 137268810

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of methyl 4-(4-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate (CID 137268804) is methyl 4-(4-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(4-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-(4-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(-c2ccc(Cl)cc2)c1C(=O)OC.
What is the InChIKey of methyl 4-(4-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is QWYBPFAOILMHNV-CYVLTUHYSA-N. The full InChI is InChI=1S/C17H13ClN2O4/c1-8-7-11-13(16(21)20-8)12(9-3-5-10(18)6-4-9)14(15(19)24-11)17(22)23-2/h3-7,19H,1-2H3,(H,20,21)/b19-15-.
What are the key properties of methyl 4-(4-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate?
methyl 4-(4-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 344.75 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 137268804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).