methyl 4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylate

C16H12ClNO4 — CID 21255233

IUPACmethyl 4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1c(C)nc2c(c1-c1ccc(Cl)cc1)COC2=O
InChIInChI=1S/C16H12ClNO4/c1-8-12(15(19)21-2)13(9-3-5-10(17)6-4-9)11-7-22-16(20)14(11)18-8/h3-6H,7H2,1-2H3
InChIKeyASPXBBDZVQTLFM-UHFFFAOYSA-N
MW317.73 g/mol
LogP3.17
Rot. Bonds2

About methyl 4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylate

methyl 4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylate (PubChem CID 21255233) has the molecular formula C16H12ClNO4 and a molecular weight of 317.73 g/mol. Its IUPAC name is methyl 4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylate
PubChem CID21255233
Molecular FormulaC16H12ClNO4
Molecular Weight317.73 g/mol
Exact Mass317.05
IUPAC Namemethyl 4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1c(C)nc2c(c1-c1ccc(Cl)cc1)COC2=O
InChIInChI=1S/C16H12ClNO4/c1-8-12(15(19)21-2)13(9-3-5-10(17)6-4-9)11-7-22-16(20)14(11)18-8/h3-6H,7H2,1-2H3
InChIKeyASPXBBDZVQTLFM-UHFFFAOYSA-N
XLogP3.17
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylate with MolForge

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Related Compounds

4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylic acid
CID 70241521
[4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridin-3-yl] methyl carbonate
CID 67695537
4-(4-chlorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylic acid
CID 151544448
methyl 4-(2,3-difluorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate
CID 21255229
dimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232500
methyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate
CID 115022124
methyl 3-(4-chlorophenyl)cinnoline-4-carboxylate
CID 164575604
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
methyl 2-amino-5-(4-chlorophenyl)-6-oxo-1H-pyrimidine-4-carboxylate
CID 135499579
dimethyl 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232733
methyl 5-[chloro(difluoro)methyl]-3-(4-chlorophenyl)-1,2-oxazole-4-carboxylate
CID 10358731
diethyl 2-(4-chlorophenyl)-4,6-dimethylpyridine-3,5-dicarboxylate
CID 122366670

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylate?
The IUPAC name of methyl 4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylate (CID 21255233) is methyl 4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylate is COC(=O)c1c(C)nc2c(c1-c1ccc(Cl)cc1)COC2=O.
What is the InChIKey of methyl 4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylate?
The InChIKey is ASPXBBDZVQTLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO4/c1-8-12(15(19)21-2)13(9-3-5-10(17)6-4-9)11-7-22-16(20)14(11)18-8/h3-6H,7H2,1-2H3.
What are the key properties of methyl 4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylate?
methyl 4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylate has a molecular weight of 317.73 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 21255233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).