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

C15H14Br2N2O — CID 112533974

IUPAC2-(4-bromophenyl)-1-(2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)N1CCc2[nH]c(Br)cc2C1
InChIInChI=1S/C15H14Br2N2O/c16-12-3-1-10(2-4-12)7-15(20)19-6-5-13-11(9-19)8-14(17)18-13/h1-4,8,18H,5-7,9H2
InChIKeyIUJBGJXTGHEWAG-UHFFFAOYSA-N
MW398.10 g/mol
LogP3.67
Rot. Bonds2

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

2-(4-bromophenyl)-1-(2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone (PubChem CID 112533974) has the molecular formula C15H14Br2N2O and a molecular weight of 398.10 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone
PubChem CID112533974
Molecular FormulaC15H14Br2N2O
Molecular Weight398.10 g/mol
Exact Mass395.95
IUPAC Name2-(4-bromophenyl)-1-(2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)N1CCc2[nH]c(Br)cc2C1
InChIInChI=1S/C15H14Br2N2O/c16-12-3-1-10(2-4-12)7-15(20)19-6-5-13-11(9-19)8-14(17)18-13/h1-4,8,18H,5-7,9H2
InChIKeyIUJBGJXTGHEWAG-UHFFFAOYSA-N
XLogP3.67
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.10
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-2-(3-methoxyphenyl)ethanone
CID 112533978
1-(2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-3-(dimethylamino)propan-1-one
CID 112533930
2-(4-bromophenyl)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone
CID 121186980
2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 884392
(2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-chlorophenyl)methanone
CID 112533950
2-(4-bromophenyl)-1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 108726070
2-(4-bromophenyl)-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 119416494
1-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110817436
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-bromophenyl)ethanone
CID 66212767
2-(3-bromophenyl)-1-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 113089718
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-sulfanylphenyl)ethanone
CID 107020839
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(dimethylamino)phenyl]ethanone
CID 90895697

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone (CID 112533974) is 2-(4-bromophenyl)-1-(2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone is O=C(Cc1ccc(Br)cc1)N1CCc2[nH]c(Br)cc2C1.
What is the InChIKey of 2-(4-bromophenyl)-1-(2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone?
The InChIKey is IUJBGJXTGHEWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O/c16-12-3-1-10(2-4-12)7-15(20)19-6-5-13-11(9-19)8-14(17)18-13/h1-4,8,18H,5-7,9H2.
What are the key properties of 2-(4-bromophenyl)-1-(2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone?
2-(4-bromophenyl)-1-(2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone has a molecular weight of 398.10 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 112533974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).