(5-bromo-3-pyridinyl)-(2,5-dichlorophenyl)methanone

C12H6BrCl2NO — CID 43167259

IUPAC(5-bromo-3-pyridinyl)-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cncc(Br)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H6BrCl2NO/c13-8-3-7(5-16-6-8)12(17)10-4-9(14)1-2-11(10)15/h1-6H
InChIKeyGBCSHPWSOARRLA-UHFFFAOYSA-N
MW331.00 g/mol
LogP4.38
Rot. Bonds2

About (5-bromo-3-pyridinyl)-(2,5-dichlorophenyl)methanone

(5-bromo-3-pyridinyl)-(2,5-dichlorophenyl)methanone (PubChem CID 43167259) has the molecular formula C12H6BrCl2NO and a molecular weight of 331.00 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-(2,5-dichlorophenyl)methanone
PubChem CID43167259
Molecular FormulaC12H6BrCl2NO
Molecular Weight331.00 g/mol
Exact Mass328.90
IUPAC Name(5-bromo-3-pyridinyl)-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cncc(Br)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H6BrCl2NO/c13-8-3-7(5-16-6-8)12(17)10-4-9(14)1-2-11(10)15/h1-6H
InChIKeyGBCSHPWSOARRLA-UHFFFAOYSA-N
XLogP4.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.00
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methanone
CID 43167215
bis(5-bromo-3-pyridinyl)methanone
CID 150630113
(5-bromo-3-pyridinyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 106971979
(4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43805120
5-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 60865148
5-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 7961320
(3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81472655
(2,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 43344611
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338246
1-(5-bromo-3-pyridinyl)ethanone
CID 820423
(2-bromo-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 107996584
(5-bromo-3-pyridinyl)-[2,4-di(propan-2-yl)phenyl]methanone
CID 43338072

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-(2,5-dichlorophenyl)methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-(2,5-dichlorophenyl)methanone (CID 43167259) is (5-bromo-3-pyridinyl)-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-(2,5-dichlorophenyl)methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-(2,5-dichlorophenyl)methanone is O=C(c1cncc(Br)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of (5-bromo-3-pyridinyl)-(2,5-dichlorophenyl)methanone?
The InChIKey is GBCSHPWSOARRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl2NO/c13-8-3-7(5-16-6-8)12(17)10-4-9(14)1-2-11(10)15/h1-6H.
What are the key properties of (5-bromo-3-pyridinyl)-(2,5-dichlorophenyl)methanone?
(5-bromo-3-pyridinyl)-(2,5-dichlorophenyl)methanone has a molecular weight of 331.00 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 43167259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).