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

C11H11BrClN3O — CID 140765190

IUPAC2-(6-bromo-3-chloropyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(Cl)c2ncc(Br)cc21
InChIInChI=1S/C11H11BrClN3O/c1-15(2)10(17)6-16-5-8(13)11-9(16)3-7(12)4-14-11/h3-5H,6H2,1-2H3
InChIKeySBBSTWQXPURRLM-UHFFFAOYSA-N
MW316.59 g/mol
LogP2.54
Rot. Bonds2

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

2-(6-bromo-3-chloropyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide (PubChem CID 140765190) has the molecular formula C11H11BrClN3O and a molecular weight of 316.59 g/mol. Its IUPAC name is 2-(6-bromo-3-chloropyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(6-bromo-3-chloropyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide
PubChem CID140765190
Molecular FormulaC11H11BrClN3O
Molecular Weight316.59 g/mol
Exact Mass314.98
IUPAC Name2-(6-bromo-3-chloropyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(Cl)c2ncc(Br)cc21
InChIInChI=1S/C11H11BrClN3O/c1-15(2)10(17)6-16-5-8(13)11-9(16)3-7(12)4-14-11/h3-5H,6H2,1-2H3
InChIKeySBBSTWQXPURRLM-UHFFFAOYSA-N
XLogP2.54
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.59
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3-chloropyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(6-bromo-3-chloropyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide (CID 140765190) is 2-(6-bromo-3-chloropyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(6-bromo-3-chloropyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(6-bromo-3-chloropyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cn1cc(Cl)c2ncc(Br)cc21.
What is the InChIKey of 2-(6-bromo-3-chloropyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide?
The InChIKey is SBBSTWQXPURRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3O/c1-15(2)10(17)6-16-5-8(13)11-9(16)3-7(12)4-14-11/h3-5H,6H2,1-2H3.
What are the key properties of 2-(6-bromo-3-chloropyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide?
2-(6-bromo-3-chloropyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide has a molecular weight of 316.59 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3-chloropyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 140765190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).