methyl 2-[(7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)oxy]acetate

C10H10N2O4 — CID 141038592

IUPACmethyl 2-[(7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)oxy]acetate
SMILESCOC(=O)COc1c[nH]c2c(=O)cc[nH]c12
InChIInChI=1S/C10H10N2O4/c1-15-8(14)5-16-7-4-12-9-6(13)2-3-11-10(7)9/h2-4,12H,5H2,1H3,(H,11,13)
InChIKeySTKLHCFXXASLSK-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.41
Rot. Bonds3

About methyl 2-[(7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)oxy]acetate

methyl 2-[(7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)oxy]acetate (PubChem CID 141038592) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is methyl 2-[(7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[(7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)oxy]acetate
PubChem CID141038592
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Namemethyl 2-[(7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)oxy]acetate
SMILESCOC(=O)COc1c[nH]c2c(=O)cc[nH]c12
InChIInChI=1S/C10H10N2O4/c1-15-8(14)5-16-7-4-12-9-6(13)2-3-11-10(7)9/h2-4,12H,5H2,1H3,(H,11,13)
InChIKeySTKLHCFXXASLSK-UHFFFAOYSA-N
XLogP0.41
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)oxy]acetate with MolForge

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Related Compounds

3-({[3-(2-Ethoxyethoxy)pyridin-2-yl]methyl}amino)-1H-pyrrole-2-carboxylic acid ethyl ester
CID 67068482
3-[[3-(2-ethoxyethoxy)-2-pyridinyl]methylamino]-1H-pyrrole-2-carboxylic acid
CID 157718807
ethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride
CID 166516945
ethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate
CID 166516946
ethyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate
CID 166516983
ethyl 3-[[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2H-pyran-5-yl]methylamino]-4-methoxy-1H-pyrrole-2-carboxylate
CID 171786731
(4-Oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl) acetate
CID 175257891
methyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate
CID 175343008
methyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride
CID 175811808
2-Methyl-3-oxo-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-5-carboxylic acid
CID 82377418
3-Oxo-2-propan-2-yl-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-5-carboxylic acid
CID 82377420
3-Oxo-2-pentan-3-yl-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-5-carboxylic acid
CID 82377421

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)oxy]acetate?
The IUPAC name of methyl 2-[(7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)oxy]acetate (CID 141038592) is methyl 2-[(7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)oxy]acetate.
What is the SMILES notation for methyl 2-[(7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)oxy]acetate?
The canonical SMILES for methyl 2-[(7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)oxy]acetate is COC(=O)COc1c[nH]c2c(=O)cc[nH]c12.
What is the InChIKey of methyl 2-[(7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)oxy]acetate?
The InChIKey is STKLHCFXXASLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-15-8(14)5-16-7-4-12-9-6(13)2-3-11-10(7)9/h2-4,12H,5H2,1H3,(H,11,13).
What are the key properties of methyl 2-[(7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)oxy]acetate?
methyl 2-[(7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)oxy]acetate has a molecular weight of 222.20 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)oxy]acetate is sourced from PubChem (CID 141038592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).