1-(6-bromo-2-pyridinyl)-2-fluoropropan-1-one

C8H7BrFNO — CID 118664092

IUPAC1-(6-bromo-2-pyridinyl)-2-fluoropropan-1-one
SMILESCC(F)C(=O)c1cccc(Br)n1
InChIInChI=1S/C8H7BrFNO/c1-5(10)8(12)6-3-2-4-7(9)11-6/h2-5H,1H3
InChIKeyFLRDSPWEYRQPPL-UHFFFAOYSA-N
MW232.05 g/mol
LogP2.38
Rot. Bonds2

About 1-(6-bromo-2-pyridinyl)-2-fluoropropan-1-one

1-(6-bromo-2-pyridinyl)-2-fluoropropan-1-one (PubChem CID 118664092) has the molecular formula C8H7BrFNO and a molecular weight of 232.05 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)-2-fluoropropan-1-one.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)-2-fluoropropan-1-one
PubChem CID118664092
Molecular FormulaC8H7BrFNO
Molecular Weight232.05 g/mol
Exact Mass230.97
IUPAC Name1-(6-bromo-2-pyridinyl)-2-fluoropropan-1-one
SMILESCC(F)C(=O)c1cccc(Br)n1
InChIInChI=1S/C8H7BrFNO/c1-5(10)8(12)6-3-2-4-7(9)11-6/h2-5H,1H3
InChIKeyFLRDSPWEYRQPPL-UHFFFAOYSA-N
XLogP2.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.05
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(6-bromo-2-pyridinyl)-2-fluoropropan-1-one?
The IUPAC name of 1-(6-bromo-2-pyridinyl)-2-fluoropropan-1-one (CID 118664092) is 1-(6-bromo-2-pyridinyl)-2-fluoropropan-1-one.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)-2-fluoropropan-1-one?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)-2-fluoropropan-1-one is CC(F)C(=O)c1cccc(Br)n1.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)-2-fluoropropan-1-one?
The InChIKey is FLRDSPWEYRQPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO/c1-5(10)8(12)6-3-2-4-7(9)11-6/h2-5H,1H3.
What are the key properties of 1-(6-bromo-2-pyridinyl)-2-fluoropropan-1-one?
1-(6-bromo-2-pyridinyl)-2-fluoropropan-1-one has a molecular weight of 232.05 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)-2-fluoropropan-1-one is sourced from PubChem (CID 118664092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).