4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-hydroxy-1,2-oxazol-3-one

C9H4ClF3N2O3 — CID 1473736

IUPAC4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-hydroxy-1,2-oxazol-3-one
SMILESO=c1[nH]oc(O)c1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H4ClF3N2O3/c10-4-1-3(9(11,12)13)2-14-6(4)5-7(16)15-18-8(5)17/h1-2,17H,(H,15,16)
InChIKeyJLMVDMHMPPBSHX-UHFFFAOYSA-N
MW280.59 g/mol
LogP2.41
Rot. Bonds1

About 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-hydroxy-1,2-oxazol-3-one

4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-hydroxy-1,2-oxazol-3-one (PubChem CID 1473736) has the molecular formula C9H4ClF3N2O3 and a molecular weight of 280.59 g/mol. Its IUPAC name is 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-hydroxy-1,2-oxazol-3-one.

Molecular Properties

Compound Name4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-hydroxy-1,2-oxazol-3-one
PubChem CID1473736
Molecular FormulaC9H4ClF3N2O3
Molecular Weight280.59 g/mol
Exact Mass279.99
IUPAC Name4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-hydroxy-1,2-oxazol-3-one
SMILESO=c1[nH]oc(O)c1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H4ClF3N2O3/c10-4-1-3(9(11,12)13)2-14-6(4)5-7(16)15-18-8(5)17/h1-2,17H,(H,15,16)
InChIKeyJLMVDMHMPPBSHX-UHFFFAOYSA-N
XLogP2.41
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.59
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylacetamide
CID 1491758
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(dimethylamino)ethyl]acetamide
CID 2768205
2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylamino)prop-2-enal
CID 1483149
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-propynyl)propanamide
CID 3478260
2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]acetamide
CID 3756200
N-tert-butyl-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propanamide
CID 1471997
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methylpropanamide
CID 3524603
2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-phenylacetamide
CID 3795919
3-Chloro-N-hydroxy-5-(trifluoromethyl)-2-pyridinecarboxamide
CID 607176
1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]propan-2-one
CID 1490211
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylpropanamide
CID 3676173
N-(7-aminoheptyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 16412998

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-hydroxy-1,2-oxazol-3-one?
The IUPAC name of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-hydroxy-1,2-oxazol-3-one (CID 1473736) is 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-hydroxy-1,2-oxazol-3-one.
What is the SMILES notation for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-hydroxy-1,2-oxazol-3-one?
The canonical SMILES for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-hydroxy-1,2-oxazol-3-one is O=c1[nH]oc(O)c1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-hydroxy-1,2-oxazol-3-one?
The InChIKey is JLMVDMHMPPBSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N2O3/c10-4-1-3(9(11,12)13)2-14-6(4)5-7(16)15-18-8(5)17/h1-2,17H,(H,15,16).
What are the key properties of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-hydroxy-1,2-oxazol-3-one?
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-hydroxy-1,2-oxazol-3-one has a molecular weight of 280.59 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-hydroxy-1,2-oxazol-3-one is sourced from PubChem (CID 1473736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).