5-pyridin-2-yl-4-(trifluoromethyl)-1,2-oxazole-3-carbonyl fluoride

C10H4F4N2O2 — CID 58062834

IUPAC5-pyridin-2-yl-4-(trifluoromethyl)-1,2-oxazole-3-carbonyl fluoride
SMILESO=C(F)c1noc(-c2ccccn2)c1C(F)(F)F
InChIInChI=1S/C10H4F4N2O2/c11-9(17)7-6(10(12,13)14)8(18-16-7)5-3-1-2-4-15-5/h1-4H
InChIKeyCHWAKBWYDDCVMB-UHFFFAOYSA-N
MW260.15 g/mol
LogP2.87
Rot. Bonds2

About 5-pyridin-2-yl-4-(trifluoromethyl)-1,2-oxazole-3-carbonyl fluoride

5-pyridin-2-yl-4-(trifluoromethyl)-1,2-oxazole-3-carbonyl fluoride (PubChem CID 58062834) has the molecular formula C10H4F4N2O2 and a molecular weight of 260.15 g/mol. Its IUPAC name is 5-pyridin-2-yl-4-(trifluoromethyl)-1,2-oxazole-3-carbonyl fluoride.

Molecular Properties

Compound Name5-pyridin-2-yl-4-(trifluoromethyl)-1,2-oxazole-3-carbonyl fluoride
PubChem CID58062834
Molecular FormulaC10H4F4N2O2
Molecular Weight260.15 g/mol
Exact Mass260.02
IUPAC Name5-pyridin-2-yl-4-(trifluoromethyl)-1,2-oxazole-3-carbonyl fluoride
SMILESO=C(F)c1noc(-c2ccccn2)c1C(F)(F)F
InChIInChI=1S/C10H4F4N2O2/c11-9(17)7-6(10(12,13)14)8(18-16-7)5-3-1-2-4-15-5/h1-4H
InChIKeyCHWAKBWYDDCVMB-UHFFFAOYSA-N
XLogP2.87
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

1,1,1-trifluoro-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 63346832
2-pyridin-2-yl-3,4-bis(trifluoromethyl)pyridine
CID 23443905
3-pyridin-2-yl-1,2-oxazole-5-carbonyl chloride
CID 82371405
methyl 4-propyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate
CID 58062816
2-pyridin-2-ylbenzoic acid;2,2,2-trifluoroacetic acid
CID 175747170
CID 154704206
CID 154704206
(2-pyridin-2-ylphenyl) 2,2,2-trifluoroacetate
CID 102529652
5-[(E)-1-fluoroprop-1-enyl]-3-pyridin-2-yl-1,2-oxazole
CID 173227081
(NE)-N-[1-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]ethylidene]hydroxylamine
CID 172935187
manganese(2+);2-pyridin-2-ylpyridine;bis((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate)
CID 139056918
2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;iridium;pyridine-2-carboxylic acid
CID 23568218
3-pyridin-2-yl-2-(trifluoromethyl)pyridine
CID 68525561

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-yl-4-(trifluoromethyl)-1,2-oxazole-3-carbonyl fluoride?
The IUPAC name of 5-pyridin-2-yl-4-(trifluoromethyl)-1,2-oxazole-3-carbonyl fluoride (CID 58062834) is 5-pyridin-2-yl-4-(trifluoromethyl)-1,2-oxazole-3-carbonyl fluoride.
What is the SMILES notation for 5-pyridin-2-yl-4-(trifluoromethyl)-1,2-oxazole-3-carbonyl fluoride?
The canonical SMILES for 5-pyridin-2-yl-4-(trifluoromethyl)-1,2-oxazole-3-carbonyl fluoride is O=C(F)c1noc(-c2ccccn2)c1C(F)(F)F.
What is the InChIKey of 5-pyridin-2-yl-4-(trifluoromethyl)-1,2-oxazole-3-carbonyl fluoride?
The InChIKey is CHWAKBWYDDCVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F4N2O2/c11-9(17)7-6(10(12,13)14)8(18-16-7)5-3-1-2-4-15-5/h1-4H.
What are the key properties of 5-pyridin-2-yl-4-(trifluoromethyl)-1,2-oxazole-3-carbonyl fluoride?
5-pyridin-2-yl-4-(trifluoromethyl)-1,2-oxazole-3-carbonyl fluoride has a molecular weight of 260.15 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-yl-4-(trifluoromethyl)-1,2-oxazole-3-carbonyl fluoride is sourced from PubChem (CID 58062834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).