1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-(methylamino)ethanone

C10H10BrN3O — CID 84808188

IUPAC1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc2ncc(Br)cc2[nH]1
InChIInChI=1S/C10H10BrN3O/c1-12-5-10(15)9-3-7-8(14-9)2-6(11)4-13-7/h2-4,12,14H,5H2,1H3
InChIKeyCPNCXBJTINNXJZ-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.73
Rot. Bonds3

About 1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-(methylamino)ethanone

1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-(methylamino)ethanone (PubChem CID 84808188) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-(methylamino)ethanone
PubChem CID84808188
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc2ncc(Br)cc2[nH]1
InChIInChI=1S/C10H10BrN3O/c1-12-5-10(15)9-3-7-8(14-9)2-6(11)4-13-7/h2-4,12,14H,5H2,1H3
InChIKeyCPNCXBJTINNXJZ-UHFFFAOYSA-N
XLogP1.73
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-(methylamino)ethanone (CID 84808188) is 1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-(methylamino)ethanone is CNCC(=O)c1cc2ncc(Br)cc2[nH]1.
What is the InChIKey of 1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-(methylamino)ethanone?
The InChIKey is CPNCXBJTINNXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-12-5-10(15)9-3-7-8(14-9)2-6(11)4-13-7/h2-4,12,14H,5H2,1H3.
What are the key properties of 1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-(methylamino)ethanone?
1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-(methylamino)ethanone has a molecular weight of 268.11 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 84808188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).