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

C15H14Br2N2O — CID 112536718

IUPAC1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)n1c(Br)c(Br)c2c1CCNC2
InChIInChI=1S/C15H14Br2N2O/c16-14-11-9-18-7-6-12(11)19(15(14)17)13(20)8-10-4-2-1-3-5-10/h1-5,18H,6-9H2
InChIKeyNRERYDXJSKNFRH-UHFFFAOYSA-N
MW398.10 g/mol
LogP3.54
Rot. Bonds2

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

1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-phenylethanone (PubChem CID 112536718) has the molecular formula C15H14Br2N2O and a molecular weight of 398.10 g/mol. Its IUPAC name is 1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-phenylethanone
PubChem CID112536718
Molecular FormulaC15H14Br2N2O
Molecular Weight398.10 g/mol
Exact Mass395.95
IUPAC Name1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)n1c(Br)c(Br)c2c1CCNC2
InChIInChI=1S/C15H14Br2N2O/c16-14-11-9-18-7-6-12(11)19(15(14)17)13(20)8-10-4-2-1-3-5-10/h1-5,18H,6-9H2
InChIKeyNRERYDXJSKNFRH-UHFFFAOYSA-N
XLogP3.54
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.10
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 112536822
(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-pyridin-2-ylmethanone
CID 112536790
(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-(3-fluorophenyl)methanone
CID 112536702
2-[4-(3-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)phenyl]acetic acid
CID 110459050
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
1-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile
CID 82588635
1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-phenylethanone
CID 112536189
1-(1,3-dihydroisoindol-2-yl)-2-phenylethanone
CID 110472108
1-benzyl-2-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 25117108
1-[2-(aminomethyl)piperazin-1-yl]-2-phenylethanone
CID 113415473
2-(3-chlorophenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone
CID 112535630
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083

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-phenylethanone?
The IUPAC name of 1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-phenylethanone (CID 112536718) is 1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-phenylethanone.
What is the SMILES notation for 1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-phenylethanone?
The canonical SMILES for 1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-phenylethanone is O=C(Cc1ccccc1)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-phenylethanone?
The InChIKey is NRERYDXJSKNFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O/c16-14-11-9-18-7-6-12(11)19(15(14)17)13(20)8-10-4-2-1-3-5-10/h1-5,18H,6-9H2.
What are the key properties of 1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-phenylethanone?
1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-phenylethanone has a molecular weight of 398.10 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 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-phenylethanone is sourced from PubChem (CID 112536718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).