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

C8H8F3N3O2 — CID 140682856

IUPAC[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea
SMILESCn1cc(C(F)(F)F)cc(NC(N)=O)c1=O
InChIInChI=1S/C8H8F3N3O2/c1-14-3-4(8(9,10)11)2-5(6(14)15)13-7(12)16/h2-3H,1H3,(H3,12,13,16)
InChIKeyPHXIPAOVGKDFNV-UHFFFAOYSA-N
MW235.16 g/mol
LogP0.89
Rot. Bonds1

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

[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea (PubChem CID 140682856) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is [1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea.

Molecular Properties

Compound Name[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea
PubChem CID140682856
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea
SMILESCn1cc(C(F)(F)F)cc(NC(N)=O)c1=O
InChIInChI=1S/C8H8F3N3O2/c1-14-3-4(8(9,10)11)2-5(6(14)15)13-7(12)16/h2-3H,1H3,(H3,12,13,16)
InChIKeyPHXIPAOVGKDFNV-UHFFFAOYSA-N
XLogP0.89
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea?
The IUPAC name of [1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea (CID 140682856) is [1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea.
What is the SMILES notation for [1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea?
The canonical SMILES for [1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea is Cn1cc(C(F)(F)F)cc(NC(N)=O)c1=O.
What is the InChIKey of [1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea?
The InChIKey is PHXIPAOVGKDFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c1-14-3-4(8(9,10)11)2-5(6(14)15)13-7(12)16/h2-3H,1H3,(H3,12,13,16).
What are the key properties of [1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea?
[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea has a molecular weight of 235.16 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea is sourced from PubChem (CID 140682856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).