bis(5-bromo-3-pyridinyl)methanone

C11H6Br2N2O — CID 150630113

IUPACbis(5-bromo-3-pyridinyl)methanone
SMILESO=C(c1cncc(Br)c1)c1cncc(Br)c1
InChIInChI=1S/C11H6Br2N2O/c12-9-1-7(3-14-5-9)11(16)8-2-10(13)6-15-4-8/h1-6H
InChIKeyIXSDPJYIZSHJAM-UHFFFAOYSA-N
MW341.99 g/mol
LogP3.23
Rot. Bonds2

About bis(5-bromo-3-pyridinyl)methanone

bis(5-bromo-3-pyridinyl)methanone (PubChem CID 150630113) has the molecular formula C11H6Br2N2O and a molecular weight of 341.99 g/mol. Its IUPAC name is bis(5-bromo-3-pyridinyl)methanone.

Molecular Properties

Compound Namebis(5-bromo-3-pyridinyl)methanone
PubChem CID150630113
Molecular FormulaC11H6Br2N2O
Molecular Weight341.99 g/mol
Exact Mass339.88
IUPAC Namebis(5-bromo-3-pyridinyl)methanone
SMILESO=C(c1cncc(Br)c1)c1cncc(Br)c1
InChIInChI=1S/C11H6Br2N2O/c12-9-1-7(3-14-5-9)11(16)8-2-10(13)6-15-4-8/h1-6H
InChIKeyIXSDPJYIZSHJAM-UHFFFAOYSA-N
XLogP3.23
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.99
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-3-pyridinyl)ethanone
CID 820423
(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methanone
CID 43167215
(5-bromo-3-pyridinyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 43161073
(5-bromo-3-pyridinyl)-(2,5-dichlorophenyl)methanone
CID 43167259
1-(5-bromo-3-pyridinyl)-2-methylpropan-1-one
CID 20782622
(5-bromo-3-pyridinyl)-(4-cyclohexylphenyl)methanone
CID 43338411
(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-3-pyridinyl)methanone
CID 43338956
(5-bromo-3-pyridinyl)-(5-ethyl-1H-pyrrol-2-yl)methanone
CID 68801466
N'-benzoyl-5-bromopyridine-3-carbohydrazide
CID 40613239
5-bromo-N-methoxypyridine-3-carboxamide
CID 51279281
3-bromo-5-prop-1-en-2-ylpyridine
CID 86707020
(5-bromo-3-pyridinyl)-[4-(2-tert-butylsilyloxypropan-2-yl)phenyl]methanone
CID 137329421

Frequently Asked Questions

What is the IUPAC name of bis(5-bromo-3-pyridinyl)methanone?
The IUPAC name of bis(5-bromo-3-pyridinyl)methanone (CID 150630113) is bis(5-bromo-3-pyridinyl)methanone.
What is the SMILES notation for bis(5-bromo-3-pyridinyl)methanone?
The canonical SMILES for bis(5-bromo-3-pyridinyl)methanone is O=C(c1cncc(Br)c1)c1cncc(Br)c1.
What is the InChIKey of bis(5-bromo-3-pyridinyl)methanone?
The InChIKey is IXSDPJYIZSHJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2N2O/c12-9-1-7(3-14-5-9)11(16)8-2-10(13)6-15-4-8/h1-6H.
What are the key properties of bis(5-bromo-3-pyridinyl)methanone?
bis(5-bromo-3-pyridinyl)methanone has a molecular weight of 341.99 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-bromo-3-pyridinyl)methanone is sourced from PubChem (CID 150630113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).