(2R,3S)-2-(5-bromo-2-pyridinyl)-2-fluoro-1,3-diphenylpent-4-en-1-one

C22H17BrFNO — CID 154716324

IUPAC(2R,3S)-2-(5-bromo-2-pyridinyl)-2-fluoro-1,3-diphenylpent-4-en-1-one
SMILESC=C[C@@H](c1ccccc1)[C@](F)(C(=O)c1ccccc1)c1ccc(Br)cn1
InChIInChI=1S/C22H17BrFNO/c1-2-19(16-9-5-3-6-10-16)22(24,20-14-13-18(23)15-25-20)21(26)17-11-7-4-8-12-17/h2-15,19H,1H2/t19-,22+/m0/s1
InChIKeyQDGKYFPSFXRJDX-SIKLNZKXSA-N
MW410.29 g/mol
LogP5.86
Rot. Bonds6

About (2R,3S)-2-(5-bromo-2-pyridinyl)-2-fluoro-1,3-diphenylpent-4-en-1-one

(2R,3S)-2-(5-bromo-2-pyridinyl)-2-fluoro-1,3-diphenylpent-4-en-1-one (PubChem CID 154716324) has the molecular formula C22H17BrFNO and a molecular weight of 410.29 g/mol. Its IUPAC name is (2R,3S)-2-(5-bromo-2-pyridinyl)-2-fluoro-1,3-diphenylpent-4-en-1-one.

Molecular Properties

Compound Name(2R,3S)-2-(5-bromo-2-pyridinyl)-2-fluoro-1,3-diphenylpent-4-en-1-one
PubChem CID154716324
Molecular FormulaC22H17BrFNO
Molecular Weight410.29 g/mol
Exact Mass409.05
IUPAC Name(2R,3S)-2-(5-bromo-2-pyridinyl)-2-fluoro-1,3-diphenylpent-4-en-1-one
SMILESC=C[C@@H](c1ccccc1)[C@](F)(C(=O)c1ccccc1)c1ccc(Br)cn1
InChIInChI=1S/C22H17BrFNO/c1-2-19(16-9-5-3-6-10-16)22(24,20-14-13-18(23)15-25-20)21(26)17-11-7-4-8-12-17/h2-15,19H,1H2/t19-,22+/m0/s1
InChIKeyQDGKYFPSFXRJDX-SIKLNZKXSA-N
XLogP5.86
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.29
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,3S)-2-(5-bromo-2-pyridinyl)-2-fluoro-1,3-diphenylpent-4-en-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-Benzoylpyridine
CID 7038
2-Phenyl-1-(pyridin-2-yl)ethan-1-one
CID 256073
Methanone, (4-bromophenyl)-4-pyridinyl-
CID 766506
1,5-Diphenyl-3-(pyridin-4-yl)pentane-1,5-dione
CID 219448
1-Phenyl-2-(2-pyridinyl)ethanone
CID 74179
3-Bromo-5-(4-methylbenzoyl)pyridine
CID 2055944
(4-Fluorophenyl)[6-(4-fluorophenyl)-3-pyridinyl]methanone
CID 1485789
3-Bromo-1-phenacyl-quinolinium bromide
CID 2841003
(E)-1-(3-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 13606099
(E)-1-(3-bromophenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 17408359
(E)-1-(3-bromophenyl)-3-pyridin-4-ylprop-2-en-1-one
CID 19550936
(2E)-1-([1,1'-Biphenyl]-4-yl)-3-(pyridin-3-yl)prop-2-en-1-one
CID 24233261

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(5-bromo-2-pyridinyl)-2-fluoro-1,3-diphenylpent-4-en-1-one?
The IUPAC name of (2R,3S)-2-(5-bromo-2-pyridinyl)-2-fluoro-1,3-diphenylpent-4-en-1-one (CID 154716324) is (2R,3S)-2-(5-bromo-2-pyridinyl)-2-fluoro-1,3-diphenylpent-4-en-1-one.
What is the SMILES notation for (2R,3S)-2-(5-bromo-2-pyridinyl)-2-fluoro-1,3-diphenylpent-4-en-1-one?
The canonical SMILES for (2R,3S)-2-(5-bromo-2-pyridinyl)-2-fluoro-1,3-diphenylpent-4-en-1-one is C=C[C@@H](c1ccccc1)[C@](F)(C(=O)c1ccccc1)c1ccc(Br)cn1.
What is the InChIKey of (2R,3S)-2-(5-bromo-2-pyridinyl)-2-fluoro-1,3-diphenylpent-4-en-1-one?
The InChIKey is QDGKYFPSFXRJDX-SIKLNZKXSA-N. The full InChI is InChI=1S/C22H17BrFNO/c1-2-19(16-9-5-3-6-10-16)22(24,20-14-13-18(23)15-25-20)21(26)17-11-7-4-8-12-17/h2-15,19H,1H2/t19-,22+/m0/s1.
What are the key properties of (2R,3S)-2-(5-bromo-2-pyridinyl)-2-fluoro-1,3-diphenylpent-4-en-1-one?
(2R,3S)-2-(5-bromo-2-pyridinyl)-2-fluoro-1,3-diphenylpent-4-en-1-one has a molecular weight of 410.29 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(5-bromo-2-pyridinyl)-2-fluoro-1,3-diphenylpent-4-en-1-one is sourced from PubChem (CID 154716324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).