2-(5-bromo-2-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanone

C13H8BrClFNO — CID 104798934

IUPAC2-(5-bromo-2-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(Br)cn1)c1cccc(Cl)c1F
InChIInChI=1S/C13H8BrClFNO/c14-8-4-5-9(17-7-8)6-12(18)10-2-1-3-11(15)13(10)16/h1-5,7H,6H2
InChIKeyVOQOXFDBAZYQOB-UHFFFAOYSA-N
MW328.57 g/mol
LogP4.06
Rot. Bonds3

About 2-(5-bromo-2-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanone

2-(5-bromo-2-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanone (PubChem CID 104798934) has the molecular formula C13H8BrClFNO and a molecular weight of 328.57 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanone
PubChem CID104798934
Molecular FormulaC13H8BrClFNO
Molecular Weight328.57 g/mol
Exact Mass326.95
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(Br)cn1)c1cccc(Cl)c1F
InChIInChI=1S/C13H8BrClFNO/c14-8-4-5-9(17-7-8)6-12(18)10-2-1-3-11(15)13(10)16/h1-5,7H,6H2
InChIKeyVOQOXFDBAZYQOB-UHFFFAOYSA-N
XLogP4.06
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.57
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-quinoxalin-5-ylethanone
CID 105128796
2-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)ethanone
CID 104798897
1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 66448501
1-(5-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 113398206
1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 106644761
2-amino-1-(3-chloro-2-fluorophenyl)ethanone
CID 81263230
1-(3-amino-4-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanone
CID 116552353
2-(2-chloro-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)ethanone
CID 102617677
2-(5-bromo-2-pyridinyl)-1-(2-chloro-4-pyridinyl)ethanone
CID 104799261
1-(3-chloro-2-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 64713085
1-(3-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 64714673
1-(5-amino-1-methylpyrazol-4-yl)-2-(5-bromo-2-pyridinyl)ethanone
CID 104799005

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanone?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanone (CID 104798934) is 2-(5-bromo-2-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanone?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanone is O=C(Cc1ccc(Br)cn1)c1cccc(Cl)c1F.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanone?
The InChIKey is VOQOXFDBAZYQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFNO/c14-8-4-5-9(17-7-8)6-12(18)10-2-1-3-11(15)13(10)16/h1-5,7H,6H2.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanone?
2-(5-bromo-2-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanone has a molecular weight of 328.57 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanone is sourced from PubChem (CID 104798934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).