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

C16H11F2NO4 — CID 21255229

IUPACmethyl 4-(2,3-difluorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1c(C)nc2c(c1-c1cccc(F)c1F)C(=O)OC2
InChIInChI=1S/C16H11F2NO4/c1-7-11(15(20)22-2)12(8-4-3-5-9(17)14(8)18)13-10(19-7)6-23-16(13)21/h3-5H,6H2,1-2H3
InChIKeyBGOPRVBOLIDHDK-UHFFFAOYSA-N
MW319.26 g/mol
LogP2.79
Rot. Bonds2

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

methyl 4-(2,3-difluorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate (PubChem CID 21255229) has the molecular formula C16H11F2NO4 and a molecular weight of 319.26 g/mol. Its IUPAC name is methyl 4-(2,3-difluorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,3-difluorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate
PubChem CID21255229
Molecular FormulaC16H11F2NO4
Molecular Weight319.26 g/mol
Exact Mass319.07
IUPAC Namemethyl 4-(2,3-difluorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1c(C)nc2c(c1-c1cccc(F)c1F)C(=O)OC2
InChIInChI=1S/C16H11F2NO4/c1-7-11(15(20)22-2)12(8-4-3-5-9(17)14(8)18)13-10(19-7)6-23-16(13)21/h3-5H,6H2,1-2H3
InChIKeyBGOPRVBOLIDHDK-UHFFFAOYSA-N
XLogP2.79
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.26
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

ethyl 2-methyl-4-(2-nitrosophenyl)-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate
CID 11099435
4-(4-chlorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylic acid
CID 151544448
methyl 4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylate
CID 21255233
methyl 4-(2,3-dichlorophenyl)-2,7,7-trimethyl-5-oxo-6,8-dihydroquinoline-3-carboxylate
CID 21255226
methyl 2-(2,3-difluorophenyl)-4,5-difluorobenzoate
CID 134635154
1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
methyl 2-(2,3-difluorophenyl)-5-fluorobenzoate
CID 134635148
methyl 2-fluoro-6-(2,3,4,5,6-pentachlorophenyl)benzoate
CID 134635064
dimethyl 2-(2,6-difluorophenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953652
methyl 2-(2,6-difluorophenyl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate
CID 24701656
4-(2,3-difluorophenyl)-3-hydroxy-2H-furan-5-one
CID 67483015
methyl 4-fluoro-2-methyl-1H-indole-3-carboxylate
CID 121220626

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,3-difluorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate?
The IUPAC name of methyl 4-(2,3-difluorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate (CID 21255229) is methyl 4-(2,3-difluorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(2,3-difluorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-(2,3-difluorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate is COC(=O)c1c(C)nc2c(c1-c1cccc(F)c1F)C(=O)OC2.
What is the InChIKey of methyl 4-(2,3-difluorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate?
The InChIKey is BGOPRVBOLIDHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO4/c1-7-11(15(20)22-2)12(8-4-3-5-9(17)14(8)18)13-10(19-7)6-23-16(13)21/h3-5H,6H2,1-2H3.
What are the key properties of methyl 4-(2,3-difluorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate?
methyl 4-(2,3-difluorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate has a molecular weight of 319.26 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,3-difluorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 21255229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).