tert-butyl 2-pyrrolo[3,2-b]pyridin-1-ylacetate

C13H16N2O2 — CID 135080166

IUPACtert-butyl 2-pyrrolo[3,2-b]pyridin-1-ylacetate
SMILESCC(C)(C)OC(=O)Cn1ccc2ncccc21
InChIInChI=1S/C13H16N2O2/c1-13(2,3)17-12(16)9-15-8-6-10-11(15)5-4-7-14-10/h4-8H,9H2,1-3H3
InChIKeyKBTDQPNBEHQKAE-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.38
Rot. Bonds2

About tert-butyl 2-pyrrolo[3,2-b]pyridin-1-ylacetate

tert-butyl 2-pyrrolo[3,2-b]pyridin-1-ylacetate (PubChem CID 135080166) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is tert-butyl 2-pyrrolo[3,2-b]pyridin-1-ylacetate.

Molecular Properties

Compound Nametert-butyl 2-pyrrolo[3,2-b]pyridin-1-ylacetate
PubChem CID135080166
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Nametert-butyl 2-pyrrolo[3,2-b]pyridin-1-ylacetate
SMILESCC(C)(C)OC(=O)Cn1ccc2ncccc21
InChIInChI=1S/C13H16N2O2/c1-13(2,3)17-12(16)9-15-8-6-10-11(15)5-4-7-14-10/h4-8H,9H2,1-3H3
InChIKeyKBTDQPNBEHQKAE-UHFFFAOYSA-N
XLogP2.38
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)acetate
CID 138986127
tert-butyl 2-pyrazolo[4,5-b]pyridin-1-ylacetate
CID 70817224
tert-butyl 2-(2-bromoimidazol-1-yl)acetate
CID 155977843
tert-butyl 2-(5-bromobenzimidazol-1-yl)acetate
CID 139271906
1-[(2-methylpropan-2-yl)oxy]pyrrolo[3,2-b]pyridine
CID 67836444
tert-butyl 2-(3-acetylindol-1-yl)acetate
CID 118322378
tert-butyl 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 2802880
tert-butyl 3-iodopyrrolo[3,2-b]pyridine-1-carboxylate
CID 101043352
tert-butyl 2-(5,7-dimethylindol-1-yl)acetate
CID 70291358
1-(2-phenylethyl)pyrrolo[3,2-b]pyridine
CID 67260198
1-(2,2-difluoroethyl)pyrrolo[3,2-b]pyridine
CID 139615824
tert-butyl 2-indol-1-ylacetate;1H-indole;2-indol-1-ylacetic acid;methane
CID 158169250

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-pyrrolo[3,2-b]pyridin-1-ylacetate?
The IUPAC name of tert-butyl 2-pyrrolo[3,2-b]pyridin-1-ylacetate (CID 135080166) is tert-butyl 2-pyrrolo[3,2-b]pyridin-1-ylacetate.
What is the SMILES notation for tert-butyl 2-pyrrolo[3,2-b]pyridin-1-ylacetate?
The canonical SMILES for tert-butyl 2-pyrrolo[3,2-b]pyridin-1-ylacetate is CC(C)(C)OC(=O)Cn1ccc2ncccc21.
What is the InChIKey of tert-butyl 2-pyrrolo[3,2-b]pyridin-1-ylacetate?
The InChIKey is KBTDQPNBEHQKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-13(2,3)17-12(16)9-15-8-6-10-11(15)5-4-7-14-10/h4-8H,9H2,1-3H3.
What are the key properties of tert-butyl 2-pyrrolo[3,2-b]pyridin-1-ylacetate?
tert-butyl 2-pyrrolo[3,2-b]pyridin-1-ylacetate has a molecular weight of 232.28 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-pyrrolo[3,2-b]pyridin-1-ylacetate is sourced from PubChem (CID 135080166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).