5-fluoro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]pyridine-3-carboxylic acid

C11H9FN2O3S — CID 91664498

IUPAC5-fluoro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]pyridine-3-carboxylic acid
SMILESCc1ncsc1COc1ncc(F)cc1C(=O)O
InChIInChI=1S/C11H9FN2O3S/c1-6-9(18-5-14-6)4-17-10-8(11(15)16)2-7(12)3-13-10/h2-3,5H,4H2,1H3,(H,15,16)
InChIKeyLUZVZVFTKLDMTN-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.26
Rot. Bonds4

About 5-fluoro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]pyridine-3-carboxylic acid

5-fluoro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]pyridine-3-carboxylic acid (PubChem CID 91664498) has the molecular formula C11H9FN2O3S and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-fluoro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]pyridine-3-carboxylic acid
PubChem CID91664498
Molecular FormulaC11H9FN2O3S
Molecular Weight268.27 g/mol
Exact Mass268.03
IUPAC Name5-fluoro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]pyridine-3-carboxylic acid
SMILESCc1ncsc1COc1ncc(F)cc1C(=O)O
InChIInChI=1S/C11H9FN2O3S/c1-6-9(18-5-14-6)4-17-10-8(11(15)16)2-7(12)3-13-10/h2-3,5H,4H2,1H3,(H,15,16)
InChIKeyLUZVZVFTKLDMTN-UHFFFAOYSA-N
XLogP2.26
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]pyridine-3-carboxylic acid (CID 91664498) is 5-fluoro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]pyridine-3-carboxylic acid is Cc1ncsc1COc1ncc(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]pyridine-3-carboxylic acid?
The InChIKey is LUZVZVFTKLDMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3S/c1-6-9(18-5-14-6)4-17-10-8(11(15)16)2-7(12)3-13-10/h2-3,5H,4H2,1H3,(H,15,16).
What are the key properties of 5-fluoro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]pyridine-3-carboxylic acid?
5-fluoro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]pyridine-3-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 91664498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).