5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;ethane

C10H12BrN3O — CID 153389354

IUPAC5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;ethane
SMILESCC.NC(=O)c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C8H6BrN3O.C2H6/c9-4-1-5-6(7(10)13)3-12-8(5)11-2-4;1-2/h1-3H,(H2,10,13)(H,11,12);1-2H3
InChIKeyNCGTXOJRGGFSGX-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.45
Rot. Bonds1

About 5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;ethane

5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;ethane (PubChem CID 153389354) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;ethane.

Molecular Properties

Compound Name5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;ethane
PubChem CID153389354
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;ethane
SMILESCC.NC(=O)c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C8H6BrN3O.C2H6/c9-4-1-5-6(7(10)13)3-12-8(5)11-2-4;1-2/h1-3H,(H2,10,13)(H,11,12);1-2H3
InChIKeyNCGTXOJRGGFSGX-UHFFFAOYSA-N
XLogP2.45
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 155733447
methyl 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate
CID 73013620
(3-amino-5-bromo-2-methylphenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 107874228
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dichlorophenyl)methanone
CID 58086013
1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)octan-1-one
CID 106884870
5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane
CID 145223715
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 106884906
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclooctylmethanone
CID 106884881
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanone
CID 143385143
(2-amino-3-chlorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 106884994
(4-amino-3-chlorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 106884976
5-bromo-2-methylsulfanylpyridine-3-carboxamide
CID 145411187

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;ethane?
The IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;ethane (CID 153389354) is 5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;ethane.
What is the SMILES notation for 5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;ethane?
The canonical SMILES for 5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;ethane is CC.NC(=O)c1c[nH]c2ncc(Br)cc12.
What is the InChIKey of 5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;ethane?
The InChIKey is NCGTXOJRGGFSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O.C2H6/c9-4-1-5-6(7(10)13)3-12-8(5)11-2-4;1-2/h1-3H,(H2,10,13)(H,11,12);1-2H3.
What are the key properties of 5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;ethane?
5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;ethane has a molecular weight of 270.13 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;ethane is sourced from PubChem (CID 153389354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).