5-hydroxy-2-[4-thiophen-3-yl-3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid

C17H10F3NO3S — CID 45377664

IUPAC5-hydroxy-2-[4-thiophen-3-yl-3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3ccsc3)c(C(F)(F)F)c2)ncc1O
InChIInChI=1S/C17H10F3NO3S/c18-17(19,20)13-5-9(1-2-11(13)10-3-4-25-8-10)14-6-12(16(23)24)15(22)7-21-14/h1-8,22H,(H,23,24)
InChIKeyDKNLMRKNNFKVPB-UHFFFAOYSA-N
MW365.33 g/mol
LogP4.90
Rot. Bonds3

About 5-hydroxy-2-[4-thiophen-3-yl-3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid

5-hydroxy-2-[4-thiophen-3-yl-3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid (PubChem CID 45377664) has the molecular formula C17H10F3NO3S and a molecular weight of 365.33 g/mol. Its IUPAC name is 5-hydroxy-2-[4-thiophen-3-yl-3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2-[4-thiophen-3-yl-3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
PubChem CID45377664
Molecular FormulaC17H10F3NO3S
Molecular Weight365.33 g/mol
Exact Mass365.03
IUPAC Name5-hydroxy-2-[4-thiophen-3-yl-3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3ccsc3)c(C(F)(F)F)c2)ncc1O
InChIInChI=1S/C17H10F3NO3S/c18-17(19,20)13-5-9(1-2-11(13)10-3-4-25-8-10)14-6-12(16(23)24)15(22)7-21-14/h1-8,22H,(H,23,24)
InChIKeyDKNLMRKNNFKVPB-UHFFFAOYSA-N
XLogP4.90
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[4-thiophen-3-yl-3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-2-[4-thiophen-3-yl-3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid (CID 45377664) is 5-hydroxy-2-[4-thiophen-3-yl-3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2-[4-thiophen-3-yl-3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-2-[4-thiophen-3-yl-3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2ccc(-c3ccsc3)c(C(F)(F)F)c2)ncc1O.
What is the InChIKey of 5-hydroxy-2-[4-thiophen-3-yl-3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid?
The InChIKey is DKNLMRKNNFKVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO3S/c18-17(19,20)13-5-9(1-2-11(13)10-3-4-25-8-10)14-6-12(16(23)24)15(22)7-21-14/h1-8,22H,(H,23,24).
What are the key properties of 5-hydroxy-2-[4-thiophen-3-yl-3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid?
5-hydroxy-2-[4-thiophen-3-yl-3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid has a molecular weight of 365.33 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[4-thiophen-3-yl-3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 45377664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).