2,6-dibromo-3-fluoro-5-prop-1-en-2-yl-1H-pyridin-4-one

C8H6Br2FNO — CID 155780525

IUPAC2,6-dibromo-3-fluoro-5-prop-1-en-2-yl-1H-pyridin-4-one
SMILESC=C(C)c1c(Br)[nH]c(Br)c(F)c1=O
InChIInChI=1S/C8H6Br2FNO/c1-3(2)4-6(13)5(11)8(10)12-7(4)9/h1H2,2H3,(H,12,13)
InChIKeyULRLZUAGVUCWCE-UHFFFAOYSA-N
MW310.95 g/mol
LogP3.07
Rot. Bonds1

About 2,6-dibromo-3-fluoro-5-prop-1-en-2-yl-1H-pyridin-4-one

2,6-dibromo-3-fluoro-5-prop-1-en-2-yl-1H-pyridin-4-one (PubChem CID 155780525) has the molecular formula C8H6Br2FNO and a molecular weight of 310.95 g/mol. Its IUPAC name is 2,6-dibromo-3-fluoro-5-prop-1-en-2-yl-1H-pyridin-4-one.

Molecular Properties

Compound Name2,6-dibromo-3-fluoro-5-prop-1-en-2-yl-1H-pyridin-4-one
PubChem CID155780525
Molecular FormulaC8H6Br2FNO
Molecular Weight310.95 g/mol
Exact Mass308.88
IUPAC Name2,6-dibromo-3-fluoro-5-prop-1-en-2-yl-1H-pyridin-4-one
SMILESC=C(C)c1c(Br)[nH]c(Br)c(F)c1=O
InChIInChI=1S/C8H6Br2FNO/c1-3(2)4-6(13)5(11)8(10)12-7(4)9/h1H2,2H3,(H,12,13)
InChIKeyULRLZUAGVUCWCE-UHFFFAOYSA-N
XLogP3.07
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.95
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,6-dibromo-3-fluoro-5-prop-1-en-2-yl-1H-pyridin-4-one?
The IUPAC name of 2,6-dibromo-3-fluoro-5-prop-1-en-2-yl-1H-pyridin-4-one (CID 155780525) is 2,6-dibromo-3-fluoro-5-prop-1-en-2-yl-1H-pyridin-4-one.
What is the SMILES notation for 2,6-dibromo-3-fluoro-5-prop-1-en-2-yl-1H-pyridin-4-one?
The canonical SMILES for 2,6-dibromo-3-fluoro-5-prop-1-en-2-yl-1H-pyridin-4-one is C=C(C)c1c(Br)[nH]c(Br)c(F)c1=O.
What is the InChIKey of 2,6-dibromo-3-fluoro-5-prop-1-en-2-yl-1H-pyridin-4-one?
The InChIKey is ULRLZUAGVUCWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2FNO/c1-3(2)4-6(13)5(11)8(10)12-7(4)9/h1H2,2H3,(H,12,13).
What are the key properties of 2,6-dibromo-3-fluoro-5-prop-1-en-2-yl-1H-pyridin-4-one?
2,6-dibromo-3-fluoro-5-prop-1-en-2-yl-1H-pyridin-4-one has a molecular weight of 310.95 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-3-fluoro-5-prop-1-en-2-yl-1H-pyridin-4-one is sourced from PubChem (CID 155780525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).