2-(4-bromo-2-chlorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanone

C13H7Br3ClNO — CID 113471210

IUPAC2-(4-bromo-2-chlorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanone
SMILESO=C(Cc1ccc(Br)cc1Cl)c1ncc(Br)cc1Br
InChIInChI=1S/C13H7Br3ClNO/c14-8-2-1-7(11(17)5-8)3-12(19)13-10(16)4-9(15)6-18-13/h1-2,4-6H,3H2
InChIKeyBJNQCHXZSVNVLC-UHFFFAOYSA-N
MW468.37 g/mol
LogP5.45
Rot. Bonds3

About 2-(4-bromo-2-chlorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanone

2-(4-bromo-2-chlorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanone (PubChem CID 113471210) has the molecular formula C13H7Br3ClNO and a molecular weight of 468.37 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanone
PubChem CID113471210
Molecular FormulaC13H7Br3ClNO
Molecular Weight468.37 g/mol
Exact Mass464.78
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanone
SMILESO=C(Cc1ccc(Br)cc1Cl)c1ncc(Br)cc1Br
InChIInChI=1S/C13H7Br3ClNO/c14-8-2-1-7(11(17)5-8)3-12(19)13-10(16)4-9(15)6-18-13/h1-2,4-6H,3H2
InChIKeyBJNQCHXZSVNVLC-UHFFFAOYSA-N
XLogP5.45
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.37
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-pyridazin-4-ylethanone
CID 105129169
2-(4-bromo-2-chlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone
CID 105129130
1-(3-bromo-2-chlorophenyl)-2-(4-bromo-2-chlorophenyl)ethanone
CID 115802017
1-(3,5-dibromo-2-pyridinyl)-2-(3-methylphenyl)ethanone
CID 113398297
1-(5-bromo-3-chloro-2-pyridinyl)propan-1-one
CID 174823193
1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967195
2-(4-bromo-2-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115801958
2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-iodophenyl)ethanone
CID 103214376
2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 115801790
1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865270
2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-iodophenyl)ethanone
CID 114029972
2-(2-chloro-4-fluorophenyl)-1-(2,5-dibromophenyl)ethanone
CID 114967277

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanone?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanone (CID 113471210) is 2-(4-bromo-2-chlorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanone?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanone is O=C(Cc1ccc(Br)cc1Cl)c1ncc(Br)cc1Br.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanone?
The InChIKey is BJNQCHXZSVNVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br3ClNO/c14-8-2-1-7(11(17)5-8)3-12(19)13-10(16)4-9(15)6-18-13/h1-2,4-6H,3H2.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanone?
2-(4-bromo-2-chlorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanone has a molecular weight of 468.37 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanone is sourced from PubChem (CID 113471210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).