5-fluoro-2-(1,3-thiazol-4-ylmethoxy)pyridine-3-carboxylic acid

C10H7FN2O3S — CID 91664627

IUPAC5-fluoro-2-(1,3-thiazol-4-ylmethoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnc1OCc1cscn1
InChIInChI=1S/C10H7FN2O3S/c11-6-1-8(10(14)15)9(12-2-6)16-3-7-4-17-5-13-7/h1-2,4-5H,3H2,(H,14,15)
InChIKeyPWUFTARKUAURDD-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.95
Rot. Bonds4

About 5-fluoro-2-(1,3-thiazol-4-ylmethoxy)pyridine-3-carboxylic acid

5-fluoro-2-(1,3-thiazol-4-ylmethoxy)pyridine-3-carboxylic acid (PubChem CID 91664627) has the molecular formula C10H7FN2O3S and a molecular weight of 254.24 g/mol. Its IUPAC name is 5-fluoro-2-(1,3-thiazol-4-ylmethoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-(1,3-thiazol-4-ylmethoxy)pyridine-3-carboxylic acid
PubChem CID91664627
Molecular FormulaC10H7FN2O3S
Molecular Weight254.24 g/mol
Exact Mass254.02
IUPAC Name5-fluoro-2-(1,3-thiazol-4-ylmethoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnc1OCc1cscn1
InChIInChI=1S/C10H7FN2O3S/c11-6-1-8(10(14)15)9(12-2-6)16-3-7-4-17-5-13-7/h1-2,4-5H,3H2,(H,14,15)
InChIKeyPWUFTARKUAURDD-UHFFFAOYSA-N
XLogP1.95
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1,3-thiazol-4-ylmethoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-2-(1,3-thiazol-4-ylmethoxy)pyridine-3-carboxylic acid (CID 91664627) is 5-fluoro-2-(1,3-thiazol-4-ylmethoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-(1,3-thiazol-4-ylmethoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-2-(1,3-thiazol-4-ylmethoxy)pyridine-3-carboxylic acid is O=C(O)c1cc(F)cnc1OCc1cscn1.
What is the InChIKey of 5-fluoro-2-(1,3-thiazol-4-ylmethoxy)pyridine-3-carboxylic acid?
The InChIKey is PWUFTARKUAURDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O3S/c11-6-1-8(10(14)15)9(12-2-6)16-3-7-4-17-5-13-7/h1-2,4-5H,3H2,(H,14,15).
What are the key properties of 5-fluoro-2-(1,3-thiazol-4-ylmethoxy)pyridine-3-carboxylic acid?
5-fluoro-2-(1,3-thiazol-4-ylmethoxy)pyridine-3-carboxylic acid has a molecular weight of 254.24 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1,3-thiazol-4-ylmethoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 91664627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).