1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-(furan-2-yl)ethanone

C13H12Br2N2O2 — CID 112536660

IUPAC1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-(furan-2-yl)ethanone
SMILESO=C(Cc1ccco1)n1c(Br)c(Br)c2c1CCNC2
InChIInChI=1S/C13H12Br2N2O2/c14-12-9-7-16-4-3-10(9)17(13(12)15)11(18)6-8-2-1-5-19-8/h1-2,5,16H,3-4,6-7H2
InChIKeyFBBQWEZAXXRMCY-UHFFFAOYSA-N
MW388.06 g/mol
LogP3.13
Rot. Bonds2

About 1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-(furan-2-yl)ethanone

1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-(furan-2-yl)ethanone (PubChem CID 112536660) has the molecular formula C13H12Br2N2O2 and a molecular weight of 388.06 g/mol. Its IUPAC name is 1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-(furan-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-(furan-2-yl)ethanone
PubChem CID112536660
Molecular FormulaC13H12Br2N2O2
Molecular Weight388.06 g/mol
Exact Mass385.93
IUPAC Name1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-(furan-2-yl)ethanone
SMILESO=C(Cc1ccco1)n1c(Br)c(Br)c2c1CCNC2
InChIInChI=1S/C13H12Br2N2O2/c14-12-9-7-16-4-3-10(9)17(13(12)15)11(18)6-8-2-1-5-19-8/h1-2,5,16H,3-4,6-7H2
InChIKeyFBBQWEZAXXRMCY-UHFFFAOYSA-N
XLogP3.13
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.06
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-(furan-2-yl)ethanone?
The IUPAC name of 1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-(furan-2-yl)ethanone (CID 112536660) is 1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-(furan-2-yl)ethanone.
What is the SMILES notation for 1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-(furan-2-yl)ethanone?
The canonical SMILES for 1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-(furan-2-yl)ethanone is O=C(Cc1ccco1)n1c(Br)c(Br)c2c1CCNC2.
What is the InChIKey of 1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-(furan-2-yl)ethanone?
The InChIKey is FBBQWEZAXXRMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O2/c14-12-9-7-16-4-3-10(9)17(13(12)15)11(18)6-8-2-1-5-19-8/h1-2,5,16H,3-4,6-7H2.
What are the key properties of 1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-(furan-2-yl)ethanone?
1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-(furan-2-yl)ethanone has a molecular weight of 388.06 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-(furan-2-yl)ethanone is sourced from PubChem (CID 112536660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).