(5-pyridin-3-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone

C16H8F3NO2S — CID 122652996

IUPAC(5-pyridin-3-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
SMILESO=C(c1ccc(-c2cccnc2)s1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C16H8F3NO2S/c17-10-6-9(13(18)16(22)14(10)19)15(21)12-4-3-11(23-12)8-2-1-5-20-7-8/h1-7,22H
InChIKeyHQZBZIAUNHPIAS-UHFFFAOYSA-N
MW335.31 g/mol
LogP4.16
Rot. Bonds3

About (5-pyridin-3-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone

(5-pyridin-3-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone (PubChem CID 122652996) has the molecular formula C16H8F3NO2S and a molecular weight of 335.31 g/mol. Its IUPAC name is (5-pyridin-3-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(5-pyridin-3-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
PubChem CID122652996
Molecular FormulaC16H8F3NO2S
Molecular Weight335.31 g/mol
Exact Mass335.02
IUPAC Name(5-pyridin-3-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
SMILESO=C(c1ccc(-c2cccnc2)s1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C16H8F3NO2S/c17-10-6-9(13(18)16(22)14(10)19)15(21)12-4-3-11(23-12)8-2-1-5-20-7-8/h1-7,22H
InChIKeyHQZBZIAUNHPIAS-UHFFFAOYSA-N
XLogP4.16
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 54.16
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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Related Compounds

7-(4-Hydroxyphenyl)-2-Pyridin-4-Yl-5h-Thieno[3,2-C]pyridin-4-One
CID 53245731
(E)-1-(3-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 16304855
N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]pyridine-3-sulfonamide
CID 122194413
[5-(5-Fluoro-3-pyridinyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122652955
(2,6-Difluoro-3-hydroxyphenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone
CID 122652975
(2,6-Difluoro-3-hydroxyphenyl)-(5-pyridin-4-ylthiophen-2-yl)methanone
CID 122653001
(5-Quinolin-7-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122653039
(4-Fluoro-3-hydroxyphenyl)-(6-thiophen-3-yl-2-pyridinyl)methanone
CID 134151376
6-chloro-N-[2-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]pyridine-3-sulfonamide
CID 155515127
6-chloro-N-[4-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]pyridine-3-sulfonamide
CID 155523432
N-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]pyridine-3-sulfonamide
CID 155525017
6-chloro-N-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]pyridine-3-sulfonamide
CID 155535276

Frequently Asked Questions

What is the IUPAC name of (5-pyridin-3-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The IUPAC name of (5-pyridin-3-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone (CID 122652996) is (5-pyridin-3-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone.
What is the SMILES notation for (5-pyridin-3-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The canonical SMILES for (5-pyridin-3-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone is O=C(c1ccc(-c2cccnc2)s1)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of (5-pyridin-3-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The InChIKey is HQZBZIAUNHPIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F3NO2S/c17-10-6-9(13(18)16(22)14(10)19)15(21)12-4-3-11(23-12)8-2-1-5-20-7-8/h1-7,22H.
What are the key properties of (5-pyridin-3-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
(5-pyridin-3-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone has a molecular weight of 335.31 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-pyridin-3-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone is sourced from PubChem (CID 122652996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).