2-(3-chloro-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine

C12H5ClF3N3S — CID 71246799

IUPAC2-(3-chloro-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESFC(F)(F)c1cnc2sc(-c3ncccc3Cl)nc2c1
InChIInChI=1S/C12H5ClF3N3S/c13-7-2-1-3-17-9(7)11-19-8-4-6(12(14,15)16)5-18-10(8)20-11/h1-5H
InChIKeyKSIUFYTXDXGRCC-UHFFFAOYSA-N
MW315.71 g/mol
LogP4.43
Rot. Bonds1

About 2-(3-chloro-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine

2-(3-chloro-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 71246799) has the molecular formula C12H5ClF3N3S and a molecular weight of 315.71 g/mol. Its IUPAC name is 2-(3-chloro-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(3-chloro-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine
PubChem CID71246799
Molecular FormulaC12H5ClF3N3S
Molecular Weight315.71 g/mol
Exact Mass314.98
IUPAC Name2-(3-chloro-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESFC(F)(F)c1cnc2sc(-c3ncccc3Cl)nc2c1
InChIInChI=1S/C12H5ClF3N3S/c13-7-2-1-3-17-9(7)11-19-8-4-6(12(14,15)16)5-18-10(8)20-11/h1-5H
InChIKeyKSIUFYTXDXGRCC-UHFFFAOYSA-N
XLogP4.43
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.71
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-(3-chloro-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine (CID 71246799) is 2-(3-chloro-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(3-chloro-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-(3-chloro-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine is FC(F)(F)c1cnc2sc(-c3ncccc3Cl)nc2c1.
What is the InChIKey of 2-(3-chloro-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is KSIUFYTXDXGRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClF3N3S/c13-7-2-1-3-17-9(7)11-19-8-4-6(12(14,15)16)5-18-10(8)20-11/h1-5H.
What are the key properties of 2-(3-chloro-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine?
2-(3-chloro-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 315.71 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 71246799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).