ethyl 1-aminopyrrolo[3,2-b]pyridine-2-carboxylate

C10H11N3O2 — CID 141290589

IUPACethyl 1-aminopyrrolo[3,2-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2ncccc2n1N
InChIInChI=1S/C10H11N3O2/c1-2-15-10(14)9-6-7-8(13(9)11)4-3-5-12-7/h3-6H,2,11H2,1H3
InChIKeyGSMFUWCVBIIAKF-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.93
Rot. Bonds2

About ethyl 1-aminopyrrolo[3,2-b]pyridine-2-carboxylate

ethyl 1-aminopyrrolo[3,2-b]pyridine-2-carboxylate (PubChem CID 141290589) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is ethyl 1-aminopyrrolo[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-aminopyrrolo[3,2-b]pyridine-2-carboxylate
PubChem CID141290589
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Nameethyl 1-aminopyrrolo[3,2-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2ncccc2n1N
InChIInChI=1S/C10H11N3O2/c1-2-15-10(14)9-6-7-8(13(9)11)4-3-5-12-7/h3-6H,2,11H2,1H3
InChIKeyGSMFUWCVBIIAKF-UHFFFAOYSA-N
XLogP0.93
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[(4-fluoro-3-methylphenyl)methyl]pyrrolo[3,2-b]pyridine-2-carboxylate
CID 69158651
ethyl 1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylate
CID 170337369
ethyl 6-hydroxyquinoline-7-carboxylate
CID 133084141
diethyl 1-amino-5-methylpyrrole-2,4-dicarboxylate
CID 167528912
ethyl 7-carbamoylpyrrolo[1,2-b]pyridazine-5-carboxylate
CID 121224109
diethyl 1-hydroxypyrrolo[3,2-b]pyridine-2,3-dicarboxylate
CID 19977741
ethyl 3-aminopyridine-2-carboxylate
CID 565054
ethyl selenopheno[2,3-b]pyridine-2-carboxylate
CID 611014
ethyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate
CID 58591624
ethyl pyridine-2-carboxylate
CID 17307
ethane;ethyl 3-aminopyridine-2-carboxylate
CID 143635646
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381

Frequently Asked Questions

What is the IUPAC name of ethyl 1-aminopyrrolo[3,2-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 1-aminopyrrolo[3,2-b]pyridine-2-carboxylate (CID 141290589) is ethyl 1-aminopyrrolo[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 1-aminopyrrolo[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 1-aminopyrrolo[3,2-b]pyridine-2-carboxylate is CCOC(=O)c1cc2ncccc2n1N.
What is the InChIKey of ethyl 1-aminopyrrolo[3,2-b]pyridine-2-carboxylate?
The InChIKey is GSMFUWCVBIIAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-2-15-10(14)9-6-7-8(13(9)11)4-3-5-12-7/h3-6H,2,11H2,1H3.
What are the key properties of ethyl 1-aminopyrrolo[3,2-b]pyridine-2-carboxylate?
ethyl 1-aminopyrrolo[3,2-b]pyridine-2-carboxylate has a molecular weight of 205.22 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-aminopyrrolo[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 141290589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).