tert-butyl 2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)acetate

C13H15BrN2O2 — CID 138986127

IUPACtert-butyl 2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)acetate
SMILESCC(C)(C)OC(=O)Cn1ccc2ncc(Br)cc21
InChIInChI=1S/C13H15BrN2O2/c1-13(2,3)18-12(17)8-16-5-4-10-11(16)6-9(14)7-15-10/h4-7H,8H2,1-3H3
InChIKeyIIHONTQNUOYEJZ-UHFFFAOYSA-N
MW311.18 g/mol
LogP3.14
Rot. Bonds2

About tert-butyl 2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)acetate

tert-butyl 2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)acetate (PubChem CID 138986127) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is tert-butyl 2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)acetate
PubChem CID138986127
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Nametert-butyl 2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)acetate
SMILESCC(C)(C)OC(=O)Cn1ccc2ncc(Br)cc21
InChIInChI=1S/C13H15BrN2O2/c1-13(2,3)18-12(17)8-16-5-4-10-11(16)6-9(14)7-15-10/h4-7H,8H2,1-3H3
InChIKeyIIHONTQNUOYEJZ-UHFFFAOYSA-N
XLogP3.14
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-pyrrolo[3,2-b]pyridin-1-ylacetate
CID 135080166
2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide
CID 138319734
tert-butyl 2-(5-bromobenzimidazol-1-yl)acetate
CID 139271906
tert-butyl 2-(7-bromo-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)acetate
CID 164901865
tert-butyl 2-(2-bromoimidazol-1-yl)acetate
CID 155977843
1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propan-2-yl 6-bromopyrrolo[3,2-b]pyridine-1-carboxylate
CID 154645958
tert-butyl 2-(3,5-dibromo-2-pyridinyl)acetate
CID 133061246
ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate
CID 68704641
tert-butyl 3-(5-bromo-2-pyridinyl)-3-oxopropanoate
CID 71580223
tert-butyl 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 2802880
tert-butyl 2-(3-amino-6-bromoindazol-1-yl)acetate
CID 155977865
tert-butyl 2-[7-bromo-4-[(2-bromo-3,3-dimethylbutanoyl)amino]-2-oxopyrido[3,2-d]pyrimidin-1-yl]acetate
CID 164901892

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)acetate?
The IUPAC name of tert-butyl 2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)acetate (CID 138986127) is tert-butyl 2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)acetate.
What is the SMILES notation for tert-butyl 2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)acetate?
The canonical SMILES for tert-butyl 2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)acetate is CC(C)(C)OC(=O)Cn1ccc2ncc(Br)cc21.
What is the InChIKey of tert-butyl 2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)acetate?
The InChIKey is IIHONTQNUOYEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-13(2,3)18-12(17)8-16-5-4-10-11(16)6-9(14)7-15-10/h4-7H,8H2,1-3H3.
What are the key properties of tert-butyl 2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)acetate?
tert-butyl 2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)acetate has a molecular weight of 311.18 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)acetate is sourced from PubChem (CID 138986127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).