2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide

C11H12BrN3O — CID 138319734

IUPAC2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ccc2ncc(Br)cc21
InChIInChI=1S/C11H12BrN3O/c1-14(2)11(16)7-15-4-3-9-10(15)5-8(12)6-13-9/h3-6H,7H2,1-2H3
InChIKeyHYZZCUQDYDJSQG-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.89
Rot. Bonds2

About 2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide

2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide (PubChem CID 138319734) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide
PubChem CID138319734
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ccc2ncc(Br)cc21
InChIInChI=1S/C11H12BrN3O/c1-14(2)11(16)7-15-4-3-9-10(15)5-8(12)6-13-9/h3-6H,7H2,1-2H3
InChIKeyHYZZCUQDYDJSQG-UHFFFAOYSA-N
XLogP1.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide (CID 138319734) is 2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cn1ccc2ncc(Br)cc21.
What is the InChIKey of 2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide?
The InChIKey is HYZZCUQDYDJSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-14(2)11(16)7-15-4-3-9-10(15)5-8(12)6-13-9/h3-6H,7H2,1-2H3.
What are the key properties of 2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide?
2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide has a molecular weight of 282.14 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 138319734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).