[5-(5-fluoro-3-pyridinyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone

C16H7F4NO2S — CID 122652955

IUPAC[5-(5-fluoro-3-pyridinyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
SMILESO=C(c1ccc(-c2cncc(F)c2)s1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C16H7F4NO2S/c17-8-3-7(5-21-6-8)11-1-2-12(24-11)15(22)9-4-10(18)14(20)16(23)13(9)19/h1-6,23H
InChIKeyWZBORHFEYHAKDC-UHFFFAOYSA-N
MW353.30 g/mol
LogP4.30
Rot. Bonds3

About [5-(5-fluoro-3-pyridinyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone

[5-(5-fluoro-3-pyridinyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone (PubChem CID 122652955) has the molecular formula C16H7F4NO2S and a molecular weight of 353.30 g/mol. Its IUPAC name is [5-(5-fluoro-3-pyridinyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[5-(5-fluoro-3-pyridinyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
PubChem CID122652955
Molecular FormulaC16H7F4NO2S
Molecular Weight353.30 g/mol
Exact Mass353.01
IUPAC Name[5-(5-fluoro-3-pyridinyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
SMILESO=C(c1ccc(-c2cncc(F)c2)s1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C16H7F4NO2S/c17-8-3-7(5-21-6-8)11-1-2-12(24-11)15(22)9-4-10(18)14(20)16(23)13(9)19/h1-6,23H
InChIKeyWZBORHFEYHAKDC-UHFFFAOYSA-N
XLogP4.30
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(5-fluoro-3-pyridinyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The IUPAC name of [5-(5-fluoro-3-pyridinyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone (CID 122652955) is [5-(5-fluoro-3-pyridinyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone.
What is the SMILES notation for [5-(5-fluoro-3-pyridinyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The canonical SMILES for [5-(5-fluoro-3-pyridinyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone is O=C(c1ccc(-c2cncc(F)c2)s1)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of [5-(5-fluoro-3-pyridinyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The InChIKey is WZBORHFEYHAKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7F4NO2S/c17-8-3-7(5-21-6-8)11-1-2-12(24-11)15(22)9-4-10(18)14(20)16(23)13(9)19/h1-6,23H.
What are the key properties of [5-(5-fluoro-3-pyridinyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
[5-(5-fluoro-3-pyridinyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone has a molecular weight of 353.30 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-fluoro-3-pyridinyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone is sourced from PubChem (CID 122652955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).