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

C11H6BrFN2O — CID 87299005

IUPAC(6-bromo-2-pyridinyl)-(2-fluoro-3-pyridinyl)methanone
SMILESO=C(c1cccc(Br)n1)c1cccnc1F
InChIInChI=1S/C11H6BrFN2O/c12-9-5-1-4-8(15-9)10(16)7-3-2-6-14-11(7)13/h1-6H
InChIKeyNQXSUHCUYQYHRY-UHFFFAOYSA-N
MW281.08 g/mol
LogP2.61
Rot. Bonds2

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

(6-bromo-2-pyridinyl)-(2-fluoro-3-pyridinyl)methanone (PubChem CID 87299005) has the molecular formula C11H6BrFN2O and a molecular weight of 281.08 g/mol. Its IUPAC name is (6-bromo-2-pyridinyl)-(2-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name(6-bromo-2-pyridinyl)-(2-fluoro-3-pyridinyl)methanone
PubChem CID87299005
Molecular FormulaC11H6BrFN2O
Molecular Weight281.08 g/mol
Exact Mass279.96
IUPAC Name(6-bromo-2-pyridinyl)-(2-fluoro-3-pyridinyl)methanone
SMILESO=C(c1cccc(Br)n1)c1cccnc1F
InChIInChI=1S/C11H6BrFN2O/c12-9-5-1-4-8(15-9)10(16)7-3-2-6-14-11(7)13/h1-6H
InChIKeyNQXSUHCUYQYHRY-UHFFFAOYSA-N
XLogP2.61
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.08
LogP ≤ 52.61
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 (6-bromo-2-pyridinyl)-(2-fluoro-3-pyridinyl)methanone?
The IUPAC name of (6-bromo-2-pyridinyl)-(2-fluoro-3-pyridinyl)methanone (CID 87299005) is (6-bromo-2-pyridinyl)-(2-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for (6-bromo-2-pyridinyl)-(2-fluoro-3-pyridinyl)methanone?
The canonical SMILES for (6-bromo-2-pyridinyl)-(2-fluoro-3-pyridinyl)methanone is O=C(c1cccc(Br)n1)c1cccnc1F.
What is the InChIKey of (6-bromo-2-pyridinyl)-(2-fluoro-3-pyridinyl)methanone?
The InChIKey is NQXSUHCUYQYHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN2O/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 (6-bromo-2-pyridinyl)-(2-fluoro-3-pyridinyl)methanone?
(6-bromo-2-pyridinyl)-(2-fluoro-3-pyridinyl)methanone has a molecular weight of 281.08 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-pyridinyl)-(2-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 87299005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).