[1-ethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea

C9H10F3N3O2 — CID 141393615

IUPAC[1-ethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea
SMILESCCn1cc(C(F)(F)F)cc(NC(N)=O)c1=O
InChIInChI=1S/C9H10F3N3O2/c1-2-15-4-5(9(10,11)12)3-6(7(15)16)14-8(13)17/h3-4H,2H2,1H3,(H3,13,14,17)
InChIKeyWWXFQYFVPKPSTM-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.38
Rot. Bonds2

About [1-ethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea

[1-ethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea (PubChem CID 141393615) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is [1-ethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea.

Molecular Properties

Compound Name[1-ethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea
PubChem CID141393615
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name[1-ethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea
SMILESCCn1cc(C(F)(F)F)cc(NC(N)=O)c1=O
InChIInChI=1S/C9H10F3N3O2/c1-2-15-4-5(9(10,11)12)3-6(7(15)16)14-8(13)17/h3-4H,2H2,1H3,(H3,13,14,17)
InChIKeyWWXFQYFVPKPSTM-UHFFFAOYSA-N
XLogP1.38
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea?
The IUPAC name of [1-ethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea (CID 141393615) is [1-ethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea.
What is the SMILES notation for [1-ethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea?
The canonical SMILES for [1-ethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea is CCn1cc(C(F)(F)F)cc(NC(N)=O)c1=O.
What is the InChIKey of [1-ethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea?
The InChIKey is WWXFQYFVPKPSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-2-15-4-5(9(10,11)12)3-6(7(15)16)14-8(13)17/h3-4H,2H2,1H3,(H3,13,14,17).
What are the key properties of [1-ethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea?
[1-ethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea has a molecular weight of 249.19 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea is sourced from PubChem (CID 141393615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).