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

C17H14N2O5 — CID 11099435

IUPACethyl 2-methyl-4-(2-nitrosophenyl)-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(c1-c1ccccc1N=O)C(=O)OC2
InChIInChI=1S/C17H14N2O5/c1-3-23-16(20)13-9(2)18-12-8-24-17(21)15(12)14(13)10-6-4-5-7-11(10)19-22/h4-7H,3,8H2,1-2H3
InChIKeySZJHRJZJOFIIHH-UHFFFAOYSA-N
MW326.31 g/mol
LogP3.30
Rot. Bonds4

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

ethyl 2-methyl-4-(2-nitrosophenyl)-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate (PubChem CID 11099435) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is ethyl 2-methyl-4-(2-nitrosophenyl)-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-(2-nitrosophenyl)-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate
PubChem CID11099435
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC Nameethyl 2-methyl-4-(2-nitrosophenyl)-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(c1-c1ccccc1N=O)C(=O)OC2
InChIInChI=1S/C17H14N2O5/c1-3-23-16(20)13-9(2)18-12-8-24-17(21)15(12)14(13)10-6-4-5-7-11(10)19-22/h4-7H,3,8H2,1-2H3
InChIKeySZJHRJZJOFIIHH-UHFFFAOYSA-N
XLogP3.30
TPSA94.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-acetyl-2-methyl-4-(2-nitrosophenyl)-7H-furo[3,4-b]pyridin-5-one
CID 11011898
5-methoxycarbonyl-3,6-dimethyl-4-(2-nitrosophenyl)pyridine-2-carboxylic acid
CID 174688766
2,6-dimethyl-4-(2-nitrosophenyl)-5-(3-oxobutan-2-yloxycarbonyl)pyridine-3-carboxylic acid
CID 3073497
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methyl-4-(2-nitrosophenyl)-5-oxoindeno[1,2-b]pyridine-3-carboxylate
CID 4534646
diethyl 4-(1,3-benzodioxol-5-yl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 10761728
diethyl 2-naphthalen-1-ylazulene-1,3-dicarboxylate
CID 10834680
ethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate
CID 11594733
ethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate
CID 132563026
ethyl 4-amino-2-(2-chlorophenyl)-6-methylpyrimidine-5-carboxylate
CID 116647802
ethyl 17,24-dioxo-15-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene-26-carboxylate
CID 10455426
ethyl 2-amino-4-(2-ethoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 54851455
ethyl 4,6-dimethyl-1-oxo-3H-2-benzofuran-5-carboxylate
CID 14713857

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-(2-nitrosophenyl)-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-4-(2-nitrosophenyl)-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate (CID 11099435) is ethyl 2-methyl-4-(2-nitrosophenyl)-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-(2-nitrosophenyl)-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-(2-nitrosophenyl)-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate is CCOC(=O)c1c(C)nc2c(c1-c1ccccc1N=O)C(=O)OC2.
What is the InChIKey of ethyl 2-methyl-4-(2-nitrosophenyl)-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate?
The InChIKey is SZJHRJZJOFIIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5/c1-3-23-16(20)13-9(2)18-12-8-24-17(21)15(12)14(13)10-6-4-5-7-11(10)19-22/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-methyl-4-(2-nitrosophenyl)-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate?
ethyl 2-methyl-4-(2-nitrosophenyl)-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate has a molecular weight of 326.31 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-(2-nitrosophenyl)-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 11099435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).