ethyl 1-acetyl-2-hydroxypyrrolo[2,3-c]pyridine-3-carboxylate

C12H12N2O4 — CID 135780320

IUPACethyl 1-acetyl-2-hydroxypyrrolo[2,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)n(C(C)=O)c2cnccc12
InChIInChI=1S/C12H12N2O4/c1-3-18-12(17)10-8-4-5-13-6-9(8)14(7(2)15)11(10)16/h4-6,16H,3H2,1-2H3
InChIKeyLWIQSNPDXFGZPH-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.58
Rot. Bonds2

About ethyl 1-acetyl-2-hydroxypyrrolo[2,3-c]pyridine-3-carboxylate

ethyl 1-acetyl-2-hydroxypyrrolo[2,3-c]pyridine-3-carboxylate (PubChem CID 135780320) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is ethyl 1-acetyl-2-hydroxypyrrolo[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-acetyl-2-hydroxypyrrolo[2,3-c]pyridine-3-carboxylate
PubChem CID135780320
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Nameethyl 1-acetyl-2-hydroxypyrrolo[2,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)n(C(C)=O)c2cnccc12
InChIInChI=1S/C12H12N2O4/c1-3-18-12(17)10-8-4-5-13-6-9(8)14(7(2)15)11(10)16/h4-6,16H,3H2,1-2H3
InChIKeyLWIQSNPDXFGZPH-UHFFFAOYSA-N
XLogP1.58
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(bromomethyl)-1-methylpyrrolo[2,3-c]pyridine-3-carboxylate
CID 170073366
ethyl 2-methylsulfanyl-4-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate
CID 58589568
ethyl 1-acetyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
CID 54710474
ethyl 3,5-dimethyl-1-pyridin-3-ylpyrazole-4-carboxylate
CID 171564003
ethyl 1-amino-2,7-naphthyridine-4-carboxylate
CID 73425222
ethyl 3-methoxy-5-methylpyridine-4-carboxylate
CID 171030458
ethyl 8-hydroxyisoquinoline-6-carboxylate
CID 137117771
ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate
CID 59699624
ethyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate
CID 156597825
ethyl 1-chloro-2,6-naphthyridine-3-carboxylate
CID 166806607
ethyl 3-[(3-acetamidopyridine-4-carbonyl)amino]pyridine-4-carboxylate
CID 71119003
ethyl 3-hydroxy-5-methylpyridine-4-carboxylate
CID 131216125

Frequently Asked Questions

What is the IUPAC name of ethyl 1-acetyl-2-hydroxypyrrolo[2,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-acetyl-2-hydroxypyrrolo[2,3-c]pyridine-3-carboxylate (CID 135780320) is ethyl 1-acetyl-2-hydroxypyrrolo[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-acetyl-2-hydroxypyrrolo[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-acetyl-2-hydroxypyrrolo[2,3-c]pyridine-3-carboxylate is CCOC(=O)c1c(O)n(C(C)=O)c2cnccc12.
What is the InChIKey of ethyl 1-acetyl-2-hydroxypyrrolo[2,3-c]pyridine-3-carboxylate?
The InChIKey is LWIQSNPDXFGZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-3-18-12(17)10-8-4-5-13-6-9(8)14(7(2)15)11(10)16/h4-6,16H,3H2,1-2H3.
What are the key properties of ethyl 1-acetyl-2-hydroxypyrrolo[2,3-c]pyridine-3-carboxylate?
ethyl 1-acetyl-2-hydroxypyrrolo[2,3-c]pyridine-3-carboxylate has a molecular weight of 248.24 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-acetyl-2-hydroxypyrrolo[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 135780320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).