methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-6-carboxylate

C9H8N2O3 — CID 57415905

IUPACmethyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cnc2c(c1)NC(=O)C2
InChIInChI=1S/C9H8N2O3/c1-14-9(13)5-2-7-6(10-4-5)3-8(12)11-7/h2,4H,3H2,1H3,(H,11,12)
InChIKeyOQXGJLKIVZGRCO-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.36
Rot. Bonds1

About methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-6-carboxylate

methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-6-carboxylate (PubChem CID 57415905) 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-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-6-carboxylate
PubChem CID57415905
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Namemethyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cnc2c(c1)NC(=O)C2
InChIInChI=1S/C9H8N2O3/c1-14-9(13)5-2-7-6(10-4-5)3-8(12)11-7/h2,4H,3H2,1H3,(H,11,12)
InChIKeyOQXGJLKIVZGRCO-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

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Related Compounds

Ethyl 4-(pyridine-3-carbonylamino)benzoate
CID 279888
3-Pyridinecarboxylic acid, 5-(benzoylamino)-, ethyl ester
CID 657658
Propyl 4-[(pyrazin-2-ylcarbonyl)amino]benzoate
CID 1741049
Methyl 4-(pyridine-3-carbonylamino)benzoate
CID 766048
Methyl indolizine-2-carboxylate
CID 600232
Ethyl 4-[(2-pyrazinylcarbonyl)amino]benzoate
CID 279843
methyl 3-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)benzoate
CID 659788
Butyl 4-(pyrazine-2-carbonylamino)benzoate
CID 2165258
Methyl 3-(pyrazine-2-carbonylamino)benzoate
CID 862107
Ethyl 3-(pyridine-3-carbonylamino)benzoate
CID 732103
Methyl 6-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyridine-3-carboxylate
CID 137129866
Methyl 5-aminopyridine-3-carboxylate
CID 1514432

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-6-carboxylate?
The IUPAC name of methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-6-carboxylate (CID 57415905) is methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-6-carboxylate is COC(=O)c1cnc2c(c1)NC(=O)C2.
What is the InChIKey of methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-6-carboxylate?
The InChIKey is OQXGJLKIVZGRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-14-9(13)5-2-7-6(10-4-5)3-8(12)11-7/h2,4H,3H2,1H3,(H,11,12).
What are the key properties of methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-6-carboxylate?
methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-6-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-6-carboxylate is sourced from PubChem (CID 57415905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).