2-(4-bromophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone

C15H11BrN2O — CID 43339354

IUPAC2-(4-bromophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)c1c[nH]c2ncccc12
InChIInChI=1S/C15H11BrN2O/c16-11-5-3-10(4-6-11)8-14(19)13-9-18-15-12(13)2-1-7-17-15/h1-7,9H,8H2,(H,17,18)
InChIKeyNDWOWAMZTJFWFA-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.75
Rot. Bonds3

About 2-(4-bromophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone

2-(4-bromophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (PubChem CID 43339354) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
PubChem CID43339354
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name2-(4-bromophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)c1c[nH]c2ncccc12
InChIInChI=1S/C15H11BrN2O/c16-11-5-3-10(4-6-11)8-14(19)13-9-18-15-12(13)2-1-7-17-15/h1-7,9H,8H2,(H,17,18)
InChIKeyNDWOWAMZTJFWFA-UHFFFAOYSA-N
XLogP3.75
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 63045615
2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 12778217
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenyl]ethanone
CID 58065947
N-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474919
1-(1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-yn-1-one
CID 58217085
pyridin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506817
2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
CID 43161303
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603
2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-one
CID 62678587
N-(2-hydroxypropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474928
N-methyl-N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 154858407

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (CID 43339354) is 2-(4-bromophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone is O=C(Cc1ccc(Br)cc1)c1c[nH]c2ncccc12.
What is the InChIKey of 2-(4-bromophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The InChIKey is NDWOWAMZTJFWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-11-5-3-10(4-6-11)8-14(19)13-9-18-15-12(13)2-1-7-17-15/h1-7,9H,8H2,(H,17,18).
What are the key properties of 2-(4-bromophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
2-(4-bromophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone has a molecular weight of 315.17 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone is sourced from PubChem (CID 43339354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).