(Z)-4-hydroxy-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pent-3-en-2-one

C10H7F4NO2 — CID 169008965

IUPAC(Z)-4-hydroxy-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pent-3-en-2-one
SMILESCC(=O)/C(=C(/C)O)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C10H7F4NO2/c1-3(16)5(4(2)17)6-7(11)9(13)15-10(14)8(6)12/h16H,1-2H3/b5-3+
InChIKeyOMXGVAUHZPTSLX-HWKANZROSA-N
MW249.16 g/mol
LogP2.52
Rot. Bonds2

About (Z)-4-hydroxy-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pent-3-en-2-one

(Z)-4-hydroxy-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pent-3-en-2-one (PubChem CID 169008965) has the molecular formula C10H7F4NO2 and a molecular weight of 249.16 g/mol. Its IUPAC name is (Z)-4-hydroxy-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-hydroxy-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pent-3-en-2-one
PubChem CID169008965
Molecular FormulaC10H7F4NO2
Molecular Weight249.16 g/mol
Exact Mass249.04
IUPAC Name(Z)-4-hydroxy-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pent-3-en-2-one
SMILESCC(=O)/C(=C(/C)O)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C10H7F4NO2/c1-3(16)5(4(2)17)6-7(11)9(13)15-10(14)8(6)12/h16H,1-2H3/b5-3+
InChIKeyOMXGVAUHZPTSLX-HWKANZROSA-N
XLogP2.52
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.16
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxy-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pent-3-en-2-one?
The IUPAC name of (Z)-4-hydroxy-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pent-3-en-2-one (CID 169008965) is (Z)-4-hydroxy-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pent-3-en-2-one.
What is the SMILES notation for (Z)-4-hydroxy-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pent-3-en-2-one?
The canonical SMILES for (Z)-4-hydroxy-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pent-3-en-2-one is CC(=O)/C(=C(/C)O)c1c(F)c(F)nc(F)c1F.
What is the InChIKey of (Z)-4-hydroxy-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pent-3-en-2-one?
The InChIKey is OMXGVAUHZPTSLX-HWKANZROSA-N. The full InChI is InChI=1S/C10H7F4NO2/c1-3(16)5(4(2)17)6-7(11)9(13)15-10(14)8(6)12/h16H,1-2H3/b5-3+.
What are the key properties of (Z)-4-hydroxy-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pent-3-en-2-one?
(Z)-4-hydroxy-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pent-3-en-2-one has a molecular weight of 249.16 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxy-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pent-3-en-2-one is sourced from PubChem (CID 169008965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).