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

C12H5ClF3N3O — CID 66880533

IUPAC2-(3-chloro-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESFC(F)(F)c1cnc2oc(-c3ccncc3Cl)nc2c1
InChIInChI=1S/C12H5ClF3N3O/c13-8-5-17-2-1-7(8)10-19-9-3-6(12(14,15)16)4-18-11(9)20-10/h1-5H
InChIKeyOECYDRHKSRACQJ-UHFFFAOYSA-N
MW299.64 g/mol
LogP3.96
Rot. Bonds1

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

2-(3-chloro-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 66880533) has the molecular formula C12H5ClF3N3O and a molecular weight of 299.64 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID66880533
Molecular FormulaC12H5ClF3N3O
Molecular Weight299.64 g/mol
Exact Mass299.01
IUPAC Name2-(3-chloro-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESFC(F)(F)c1cnc2oc(-c3ccncc3Cl)nc2c1
InChIInChI=1S/C12H5ClF3N3O/c13-8-5-17-2-1-7(8)10-19-9-3-6(12(14,15)16)4-18-11(9)20-10/h1-5H
InChIKeyOECYDRHKSRACQJ-UHFFFAOYSA-N
XLogP3.96
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.64
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (CID 66880533) is 2-(3-chloro-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is FC(F)(F)c1cnc2oc(-c3ccncc3Cl)nc2c1.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is OECYDRHKSRACQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClF3N3O/c13-8-5-17-2-1-7(8)10-19-9-3-6(12(14,15)16)4-18-11(9)20-10/h1-5H.
What are the key properties of 2-(3-chloro-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
2-(3-chloro-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 299.64 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 66880533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).