6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylic acid

C14H8FN3O2S — CID 68628662

IUPAC6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cnc(-c3cncc(F)c3)s2)n1
InChIInChI=1S/C14H8FN3O2S/c15-9-4-8(5-16-6-9)13-17-7-12(21-13)10-2-1-3-11(18-10)14(19)20/h1-7H,(H,19,20)
InChIKeyCLEJULGWWQBSCK-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.10
Rot. Bonds3

About 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylic acid

6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylic acid (PubChem CID 68628662) has the molecular formula C14H8FN3O2S and a molecular weight of 301.30 g/mol. Its IUPAC name is 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylic acid
PubChem CID68628662
Molecular FormulaC14H8FN3O2S
Molecular Weight301.30 g/mol
Exact Mass301.03
IUPAC Name6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cnc(-c3cncc(F)c3)s2)n1
InChIInChI=1S/C14H8FN3O2S/c15-9-4-8(5-16-6-9)13-17-7-12(21-13)10-2-1-3-11(18-10)14(19)20/h1-7H,(H,19,20)
InChIKeyCLEJULGWWQBSCK-UHFFFAOYSA-N
XLogP3.10
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylic acid (CID 68628662) is 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2cnc(-c3cncc(F)c3)s2)n1.
What is the InChIKey of 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylic acid?
The InChIKey is CLEJULGWWQBSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN3O2S/c15-9-4-8(5-16-6-9)13-17-7-12(21-13)10-2-1-3-11(18-10)14(19)20/h1-7H,(H,19,20).
What are the key properties of 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylic acid?
6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylic acid has a molecular weight of 301.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 68628662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).