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

C12H6F3N3O — CID 3746782

IUPAC3-pyridin-3-yl-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine
SMILESFC(F)(F)c1cnc2c(-c3cccnc3)noc2c1
InChIInChI=1S/C12H6F3N3O/c13-12(14,15)8-4-9-11(17-6-8)10(18-19-9)7-2-1-3-16-5-7/h1-6H
InChIKeyQBPYFBKMRZAPSN-UHFFFAOYSA-N
MW265.19 g/mol
LogP3.30
Rot. Bonds1

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

3-pyridin-3-yl-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine (PubChem CID 3746782) has the molecular formula C12H6F3N3O and a molecular weight of 265.19 g/mol. Its IUPAC name is 3-pyridin-3-yl-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name3-pyridin-3-yl-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine
PubChem CID3746782
Molecular FormulaC12H6F3N3O
Molecular Weight265.19 g/mol
Exact Mass265.05
IUPAC Name3-pyridin-3-yl-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine
SMILESFC(F)(F)c1cnc2c(-c3cccnc3)noc2c1
InChIInChI=1S/C12H6F3N3O/c13-12(14,15)8-4-9-11(17-6-8)10(18-19-9)7-2-1-3-16-5-7/h1-6H
InChIKeyQBPYFBKMRZAPSN-UHFFFAOYSA-N
XLogP3.30
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Methoxyphenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,3-b]pyridine
CID 1486353
3-(2,4-Dichlorophenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine
CID 3743953
3-(4-Methoxyphenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine
CID 3751880
6-[5-(4-Carbamimidoyl-2-pyridinyl)-1,2-oxazol-3-yl]pyridine-3-carboximidamide;dihydrochloride
CID 90664635
2-[3-(4-Carbamimidoyl-2-pyridinyl)-1,2-oxazol-5-yl]pyridine-4-carboximidamide;dihydrochloride
CID 90665131
5-(3,5-Difluorophenyl)-3-[difluoro(quinolin-6-yl)methyl]-[1,2]oxazolo[4,5-b]pyridine
CID 57691368
3-(4-Fluorophenyl)-7-(4-methyl-3-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine
CID 71544372
4-[1-[(4,4-Difluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 118059878
4-[1-Benzyl-3-[1-(difluoromethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 132099524
3-(4-Nitrophenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine
CID 3743946
3-methyl-N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134804957
5-(4-fluorophenyl)-3-methyl-N-pyridin-4-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134805649

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine?
The IUPAC name of 3-pyridin-3-yl-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine (CID 3746782) is 3-pyridin-3-yl-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 3-pyridin-3-yl-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine?
The canonical SMILES for 3-pyridin-3-yl-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine is FC(F)(F)c1cnc2c(-c3cccnc3)noc2c1.
What is the InChIKey of 3-pyridin-3-yl-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine?
The InChIKey is QBPYFBKMRZAPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3N3O/c13-12(14,15)8-4-9-11(17-6-8)10(18-19-9)7-2-1-3-16-5-7/h1-6H.
What are the key properties of 3-pyridin-3-yl-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine?
3-pyridin-3-yl-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine has a molecular weight of 265.19 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 3746782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).