(2-bromo-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone

C11H6Br2N2O — CID 88556728

IUPAC(2-bromo-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone
SMILESO=C(c1cccc(Br)n1)c1cccnc1Br
InChIInChI=1S/C11H6Br2N2O/c12-9-5-1-4-8(15-9)10(16)7-3-2-6-14-11(7)13/h1-6H
InChIKeyTYMNUXNGPLJWIZ-UHFFFAOYSA-N
MW341.99 g/mol
LogP3.23
Rot. Bonds2

About (2-bromo-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone

(2-bromo-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone (PubChem CID 88556728) has the molecular formula C11H6Br2N2O and a molecular weight of 341.99 g/mol. Its IUPAC name is (2-bromo-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone.

Molecular Properties

Compound Name(2-bromo-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone
PubChem CID88556728
Molecular FormulaC11H6Br2N2O
Molecular Weight341.99 g/mol
Exact Mass339.88
IUPAC Name(2-bromo-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone
SMILESO=C(c1cccc(Br)n1)c1cccnc1Br
InChIInChI=1S/C11H6Br2N2O/c12-9-5-1-4-8(15-9)10(16)7-3-2-6-14-11(7)13/h1-6H
InChIKeyTYMNUXNGPLJWIZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone?
The IUPAC name of (2-bromo-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone (CID 88556728) is (2-bromo-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone.
What is the SMILES notation for (2-bromo-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone?
The canonical SMILES for (2-bromo-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone is O=C(c1cccc(Br)n1)c1cccnc1Br.
What is the InChIKey of (2-bromo-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone?
The InChIKey is TYMNUXNGPLJWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2N2O/c12-9-5-1-4-8(15-9)10(16)7-3-2-6-14-11(7)13/h1-6H.
What are the key properties of (2-bromo-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone?
(2-bromo-3-pyridinyl)-(6-bromo-2-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 (2-bromo-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone is sourced from PubChem (CID 88556728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).