2-amino-1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanone

C10H10BrN3O — CID 84808191

IUPAC2-amino-1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanone
SMILESCn1c(C(=O)CN)cc2ncc(Br)cc21
InChIInChI=1S/C10H10BrN3O/c1-14-8-2-6(11)5-13-7(8)3-9(14)10(15)4-12/h2-3,5H,4,12H2,1H3
InChIKeyHMVBQTLFVZAAQQ-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.48
Rot. Bonds2

About 2-amino-1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanone

2-amino-1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanone (PubChem CID 84808191) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 2-amino-1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanone
PubChem CID84808191
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name2-amino-1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanone
SMILESCn1c(C(=O)CN)cc2ncc(Br)cc21
InChIInChI=1S/C10H10BrN3O/c1-14-8-2-6(11)5-13-7(8)3-9(14)10(15)4-12/h2-3,5H,4,12H2,1H3
InChIKeyHMVBQTLFVZAAQQ-UHFFFAOYSA-N
XLogP1.48
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanone?
The IUPAC name of 2-amino-1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanone (CID 84808191) is 2-amino-1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanone.
What is the SMILES notation for 2-amino-1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanone?
The canonical SMILES for 2-amino-1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanone is Cn1c(C(=O)CN)cc2ncc(Br)cc21.
What is the InChIKey of 2-amino-1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanone?
The InChIKey is HMVBQTLFVZAAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-14-8-2-6(11)5-13-7(8)3-9(14)10(15)4-12/h2-3,5H,4,12H2,1H3.
What are the key properties of 2-amino-1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanone?
2-amino-1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanone has a molecular weight of 268.11 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanone is sourced from PubChem (CID 84808191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).