5-bromo-2-pyrrolo[2,3-c]pyridin-1-yl-1H-pyridin-4-one

C12H8BrN3O — CID 118576979

IUPAC5-bromo-2-pyrrolo[2,3-c]pyridin-1-yl-1H-pyridin-4-one
SMILESO=c1cc(-n2ccc3ccncc32)[nH]cc1Br
InChIInChI=1S/C12H8BrN3O/c13-9-6-15-12(5-11(9)17)16-4-2-8-1-3-14-7-10(8)16/h1-7H,(H,15,17)
InChIKeyBWZCPPXDLPRNJX-UHFFFAOYSA-N
MW290.12 g/mol
LogP2.48
Rot. Bonds1

About 5-bromo-2-pyrrolo[2,3-c]pyridin-1-yl-1H-pyridin-4-one

5-bromo-2-pyrrolo[2,3-c]pyridin-1-yl-1H-pyridin-4-one (PubChem CID 118576979) has the molecular formula C12H8BrN3O and a molecular weight of 290.12 g/mol. Its IUPAC name is 5-bromo-2-pyrrolo[2,3-c]pyridin-1-yl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-bromo-2-pyrrolo[2,3-c]pyridin-1-yl-1H-pyridin-4-one
PubChem CID118576979
Molecular FormulaC12H8BrN3O
Molecular Weight290.12 g/mol
Exact Mass288.99
IUPAC Name5-bromo-2-pyrrolo[2,3-c]pyridin-1-yl-1H-pyridin-4-one
SMILESO=c1cc(-n2ccc3ccncc32)[nH]cc1Br
InChIInChI=1S/C12H8BrN3O/c13-9-6-15-12(5-11(9)17)16-4-2-8-1-3-14-7-10(8)16/h1-7H,(H,15,17)
InChIKeyBWZCPPXDLPRNJX-UHFFFAOYSA-N
XLogP2.48
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde
CID 118576983
1-methyl-1,7-naphthyridin-2-one
CID 20645366
1-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]pyrrolo[2,3-c]pyridine
CID 118577194
1-oxidopyrrolo[2,3-c]pyridine
CID 87757695
1-(2-methyltetrazol-5-yl)pyrrolo[2,3-c]pyridine;hydrochloride
CID 162492559
4-pyrrolo[2,3-c]pyridin-1-ylpyrimidin-2-amine
CID 71580743
1-fluoro-7-pyrrolo[2,3-c]pyridin-1-yl-2,6-naphthyridine
CID 118577050
1-methylpyrrolo[2,3-c]pyridin-2-amine
CID 130322156
8-methyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine
CID 144977078
3-bromo-1H-pyrrolo[3,2-g]isoquinoline
CID 177383219
4-bromo-1-methyl-1,7-naphthyridin-2-one
CID 162422495
4-bromo-2H-2,6-naphthyridin-1-one
CID 118436923

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-pyrrolo[2,3-c]pyridin-1-yl-1H-pyridin-4-one?
The IUPAC name of 5-bromo-2-pyrrolo[2,3-c]pyridin-1-yl-1H-pyridin-4-one (CID 118576979) is 5-bromo-2-pyrrolo[2,3-c]pyridin-1-yl-1H-pyridin-4-one.
What is the SMILES notation for 5-bromo-2-pyrrolo[2,3-c]pyridin-1-yl-1H-pyridin-4-one?
The canonical SMILES for 5-bromo-2-pyrrolo[2,3-c]pyridin-1-yl-1H-pyridin-4-one is O=c1cc(-n2ccc3ccncc32)[nH]cc1Br.
What is the InChIKey of 5-bromo-2-pyrrolo[2,3-c]pyridin-1-yl-1H-pyridin-4-one?
The InChIKey is BWZCPPXDLPRNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O/c13-9-6-15-12(5-11(9)17)16-4-2-8-1-3-14-7-10(8)16/h1-7H,(H,15,17).
What are the key properties of 5-bromo-2-pyrrolo[2,3-c]pyridin-1-yl-1H-pyridin-4-one?
5-bromo-2-pyrrolo[2,3-c]pyridin-1-yl-1H-pyridin-4-one has a molecular weight of 290.12 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-pyrrolo[2,3-c]pyridin-1-yl-1H-pyridin-4-one is sourced from PubChem (CID 118576979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).