2-(2-bromophenyl)-1-pyridin-3-ylethanone

C13H10BrNO — CID 60797587

IUPAC2-(2-bromophenyl)-1-pyridin-3-ylethanone
SMILESO=C(Cc1ccccc1Br)c1cccnc1
InChIInChI=1S/C13H10BrNO/c14-12-6-2-1-4-10(12)8-13(16)11-5-3-7-15-9-11/h1-7,9H,8H2
InChIKeyWHNOUROFRKWATA-UHFFFAOYSA-N
MW276.13 g/mol
LogP3.27
Rot. Bonds3

About 2-(2-bromophenyl)-1-pyridin-3-ylethanone

2-(2-bromophenyl)-1-pyridin-3-ylethanone (PubChem CID 60797587) has the molecular formula C13H10BrNO and a molecular weight of 276.13 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-pyridin-3-ylethanone
PubChem CID60797587
Molecular FormulaC13H10BrNO
Molecular Weight276.13 g/mol
Exact Mass274.99
IUPAC Name2-(2-bromophenyl)-1-pyridin-3-ylethanone
SMILESO=C(Cc1ccccc1Br)c1cccnc1
InChIInChI=1S/C13H10BrNO/c14-12-6-2-1-4-10(12)8-13(16)11-5-3-7-15-9-11/h1-7,9H,8H2
InChIKeyWHNOUROFRKWATA-UHFFFAOYSA-N
XLogP3.27
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 115373951
2-(2-bromophenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 108924441
2-(2-bromophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108924891
2-(2-bromophenyl)-1-(4-iodophenyl)ethanone
CID 24723892
(E)-3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 7946379
3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 78574297
2-(4-chloro-2-fluorophenyl)-1-pyridin-3-ylethanone
CID 114853626
3-oxo-3-pyridin-3-ylpropanoyl chloride
CID 23438608
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
1-[6-(3-oxo-3-pyridin-3-ylpropanoyl)-2-pyridinyl]-3-pyridin-3-ylpropane-1,3-dione
CID 123224159
2-(2-bromophenyl)acetyl bromide
CID 87290551
CID 172748531
CID 172748531

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-pyridin-3-ylethanone?
The IUPAC name of 2-(2-bromophenyl)-1-pyridin-3-ylethanone (CID 60797587) is 2-(2-bromophenyl)-1-pyridin-3-ylethanone.
What is the SMILES notation for 2-(2-bromophenyl)-1-pyridin-3-ylethanone?
The canonical SMILES for 2-(2-bromophenyl)-1-pyridin-3-ylethanone is O=C(Cc1ccccc1Br)c1cccnc1.
What is the InChIKey of 2-(2-bromophenyl)-1-pyridin-3-ylethanone?
The InChIKey is WHNOUROFRKWATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO/c14-12-6-2-1-4-10(12)8-13(16)11-5-3-7-15-9-11/h1-7,9H,8H2.
What are the key properties of 2-(2-bromophenyl)-1-pyridin-3-ylethanone?
2-(2-bromophenyl)-1-pyridin-3-ylethanone has a molecular weight of 276.13 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-pyridin-3-ylethanone is sourced from PubChem (CID 60797587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).