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

C13H11Br2N3O — CID 112536790

IUPAC(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)n1c(Br)c(Br)c2c1CCNC2
InChIInChI=1S/C13H11Br2N3O/c14-11-8-7-16-6-4-10(8)18(12(11)15)13(19)9-3-1-2-5-17-9/h1-3,5,16H,4,6-7H2
InChIKeyXXRWYNPMYBVOAH-UHFFFAOYSA-N
MW385.06 g/mol
LogP2.74
Rot. Bonds1

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

(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-pyridin-2-ylmethanone (PubChem CID 112536790) has the molecular formula C13H11Br2N3O and a molecular weight of 385.06 g/mol. Its IUPAC name is (2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-pyridin-2-ylmethanone
PubChem CID112536790
Molecular FormulaC13H11Br2N3O
Molecular Weight385.06 g/mol
Exact Mass382.93
IUPAC Name(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)n1c(Br)c(Br)c2c1CCNC2
InChIInChI=1S/C13H11Br2N3O/c14-11-8-7-16-6-4-10(8)18(12(11)15)13(19)9-3-1-2-5-17-9/h1-3,5,16H,4,6-7H2
InChIKeyXXRWYNPMYBVOAH-UHFFFAOYSA-N
XLogP2.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.06
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-pyridin-2-ylmethanone with MolForge

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Related Compounds

1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-phenylethanone
CID 112536718
1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 112536822
1-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 82587168
(2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 63911767
2,6-diazaspiro[3.3]heptan-2-yl(pyridin-2-yl)methanone
CID 166159425
(2-bromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-pyridin-4-ylmethanone
CID 112534037
4-(pyridine-2-carbonyl)piperazine-2,6-dione
CID 66085705
pyridine-2-carbothioic S-acid
CID 158789814
(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-pyridin-2-ylmethanone
CID 84582242
lithium pyridine-2-carbonylazanide
CID 87752623
piperazin-1-yl pyridine-2-carboxylate;dihydrochloride
CID 177001655
(3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride
CID 119564691

Frequently Asked Questions

What is the IUPAC name of (2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-pyridin-2-ylmethanone?
The IUPAC name of (2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-pyridin-2-ylmethanone (CID 112536790) is (2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-pyridin-2-ylmethanone.
What is the SMILES notation for (2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-pyridin-2-ylmethanone?
The canonical SMILES for (2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-pyridin-2-ylmethanone is O=C(c1ccccn1)n1c(Br)c(Br)c2c1CCNC2.
What is the InChIKey of (2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-pyridin-2-ylmethanone?
The InChIKey is XXRWYNPMYBVOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2N3O/c14-11-8-7-16-6-4-10(8)18(12(11)15)13(19)9-3-1-2-5-17-9/h1-3,5,16H,4,6-7H2.
What are the key properties of (2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-pyridin-2-ylmethanone?
(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-pyridin-2-ylmethanone has a molecular weight of 385.06 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-pyridin-2-ylmethanone is sourced from PubChem (CID 112536790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).