methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-5-carboxylate

C9H8N2O3 — CID 74890491

IUPACmethyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2c(n1)CC(=O)N2
InChIInChI=1S/C9H8N2O3/c1-14-9(13)6-3-2-5-7(10-6)4-8(12)11-5/h2-3H,4H2,1H3,(H,11,12)
InChIKeyQBNGFGHVDXKDNN-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.36
Rot. Bonds1

About methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-5-carboxylate

methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-5-carboxylate (PubChem CID 74890491) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-5-carboxylate
PubChem CID74890491
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Namemethyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2c(n1)CC(=O)N2
InChIInChI=1S/C9H8N2O3/c1-14-9(13)6-3-2-5-7(10-6)4-8(12)11-5/h2-3H,4H2,1H3,(H,11,12)
InChIKeyQBNGFGHVDXKDNN-UHFFFAOYSA-N
XLogP0.36
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate
CID 135395002
methyl 7-oxo-6,8-dihydro-5H-1,8-naphthyridine-2-carboxylate
CID 69398457
methyl 2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine-6-carboxylate
CID 123134991
methyl 7,8-dihydro-5H-pyrano[4,3-b]pyridine-2-carboxylate
CID 163390818
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
methyl 6-bromo-5-hydroxypyridine-2-carboxylate
CID 15281236
methyl 2-(oxomethylidene)spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-6-carboxylate
CID 176542377
methyl 6-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyridine-2-carboxylate
CID 95149140
methyl 3-amino-[1,2]oxazolo[5,4-b]pyridine-6-carboxylate
CID 118867675
methyl 5-amino-6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylate
CID 114409250
ethane;methyl 5-fluoro-6-methylpyridine-2-carboxylate
CID 176560584
methyl 5-bromo-6-methoxypyridine-2-carboxylate
CID 46311222

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-5-carboxylate?
The IUPAC name of methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-5-carboxylate (CID 74890491) is methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-5-carboxylate is COC(=O)c1ccc2c(n1)CC(=O)N2.
What is the InChIKey of methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-5-carboxylate?
The InChIKey is QBNGFGHVDXKDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-14-9(13)6-3-2-5-7(10-6)4-8(12)11-5/h2-3H,4H2,1H3,(H,11,12).
What are the key properties of methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-5-carboxylate?
methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-5-carboxylate has a molecular weight of 192.17 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-5-carboxylate is sourced from PubChem (CID 74890491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).