ethyl 4-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate

C10H10N2O3 — CID 123135299

IUPACethyl 4-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c(=O)cc[nH]c2[nH]1
InChIInChI=1S/C10H10N2O3/c1-2-15-10(14)7-5-6-8(13)3-4-11-9(6)12-7/h3-5H,2H2,1H3,(H2,11,12,13)
InChIKeyANAISIDYEODWEJ-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.03
Rot. Bonds2

About ethyl 4-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate

ethyl 4-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate (PubChem CID 123135299) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is ethyl 4-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate
PubChem CID123135299
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Nameethyl 4-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c(=O)cc[nH]c2[nH]1
InChIInChI=1S/C10H10N2O3/c1-2-15-10(14)7-5-6-8(13)3-4-11-9(6)12-7/h3-5H,2H2,1H3,(H2,11,12,13)
InChIKeyANAISIDYEODWEJ-UHFFFAOYSA-N
XLogP1.03
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
ethyl 4-chloro-5-methyl-1H-pyrrole-2-carboxylate
CID 66707189
ethyl 5-methyl-1-oxo-2H-isoquinoline-3-carboxylate
CID 165441491
ethyl 4-sulfanylidene-1H-pyridine-2-carboxylate
CID 119084000
ethyl 7,8-dichloro-1-oxo-2H-isoquinoline-3-carboxylate
CID 14027810
ethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate
CID 22425219
ethyl 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylate
CID 19735198
ethyl 5-ethyl-1-oxo-2H-2,7-naphthyridine-3-carboxylate
CID 134913204
ethyl 4-bromo-1H-pyrrole-2-carboxylate
CID 5324607
diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate
CID 12575837
ethyl 3-cyano-4-oxo-1H-pyridine-2-carboxylate
CID 131027939
ethyl 2-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxylate
CID 133093183

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 4-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate (CID 123135299) is ethyl 4-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 4-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1cc2c(=O)cc[nH]c2[nH]1.
What is the InChIKey of ethyl 4-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate?
The InChIKey is ANAISIDYEODWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-2-15-10(14)7-5-6-8(13)3-4-11-9(6)12-7/h3-5H,2H2,1H3,(H2,11,12,13).
What are the key properties of ethyl 4-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate?
ethyl 4-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate has a molecular weight of 206.20 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 123135299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).