2-methoxypyridine-3-carboxylic acid;2-(trifluoromethyl)-1,3-thiazole

C11H9F3N2O3S — CID 160968455

IUPAC2-methoxypyridine-3-carboxylic acid;2-(trifluoromethyl)-1,3-thiazole
SMILESCOc1ncccc1C(=O)O.FC(F)(F)c1nccs1
InChIInChI=1S/C7H7NO3.C4H2F3NS/c1-11-6-5(7(9)10)3-2-4-8-6;5-4(6,7)3-8-1-2-9-3/h2-4H,1H3,(H,9,10);1-2H
InChIKeySXXYKAXZOMHRDM-UHFFFAOYSA-N
MW306.27 g/mol
LogP2.95
Rot. Bonds2

About 2-methoxypyridine-3-carboxylic acid;2-(trifluoromethyl)-1,3-thiazole

2-methoxypyridine-3-carboxylic acid;2-(trifluoromethyl)-1,3-thiazole (PubChem CID 160968455) has the molecular formula C11H9F3N2O3S and a molecular weight of 306.27 g/mol. Its IUPAC name is 2-methoxypyridine-3-carboxylic acid;2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methoxypyridine-3-carboxylic acid;2-(trifluoromethyl)-1,3-thiazole
PubChem CID160968455
Molecular FormulaC11H9F3N2O3S
Molecular Weight306.27 g/mol
Exact Mass306.03
IUPAC Name2-methoxypyridine-3-carboxylic acid;2-(trifluoromethyl)-1,3-thiazole
SMILESCOc1ncccc1C(=O)O.FC(F)(F)c1nccs1
InChIInChI=1S/C7H7NO3.C4H2F3NS/c1-11-6-5(7(9)10)3-2-4-8-6;5-4(6,7)3-8-1-2-9-3/h2-4H,1H3,(H,9,10);1-2H
InChIKeySXXYKAXZOMHRDM-UHFFFAOYSA-N
XLogP2.95
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxypyridine-3-carboxylic acid;2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-methoxypyridine-3-carboxylic acid;2-(trifluoromethyl)-1,3-thiazole (CID 160968455) is 2-methoxypyridine-3-carboxylic acid;2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-methoxypyridine-3-carboxylic acid;2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-methoxypyridine-3-carboxylic acid;2-(trifluoromethyl)-1,3-thiazole is COc1ncccc1C(=O)O.FC(F)(F)c1nccs1.
What is the InChIKey of 2-methoxypyridine-3-carboxylic acid;2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is SXXYKAXZOMHRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3.C4H2F3NS/c1-11-6-5(7(9)10)3-2-4-8-6;5-4(6,7)3-8-1-2-9-3/h2-4H,1H3,(H,9,10);1-2H.
What are the key properties of 2-methoxypyridine-3-carboxylic acid;2-(trifluoromethyl)-1,3-thiazole?
2-methoxypyridine-3-carboxylic acid;2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 306.27 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypyridine-3-carboxylic acid;2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 160968455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).