[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]urea

C13H10F3N3O — CID 91501313

IUPAC[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]urea
SMILESNC(=O)Nc1cc(-c2ccccn2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3N3O/c14-13(15,16)9-5-8(11-3-1-2-4-18-11)6-10(7-9)19-12(17)20/h1-7H,(H3,17,19,20)
InChIKeyJMPVMCHDBNUXHP-UHFFFAOYSA-N
MW281.24 g/mol
LogP3.26
Rot. Bonds2

About [3-pyridin-2-yl-5-(trifluoromethyl)phenyl]urea

[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]urea (PubChem CID 91501313) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is [3-pyridin-2-yl-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]urea
PubChem CID91501313
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC Name[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]urea
SMILESNC(=O)Nc1cc(-c2ccccn2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3N3O/c14-13(15,16)9-5-8(11-3-1-2-4-18-11)6-10(7-9)19-12(17)20/h1-7H,(H3,17,19,20)
InChIKeyJMPVMCHDBNUXHP-UHFFFAOYSA-N
XLogP3.26
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 137263458
2,2-difluoro-2-(4-pyridin-2-ylphenyl)acetamide
CID 144811311
2-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 155776669
[4-[4-(trifluoromethyl)phenyl]phenyl]urea
CID 11623295
4-pyridin-2-yl-2,6-bis(trifluoromethyl)pyridine
CID 122219942
[4-[3-(trifluoromethyl)anilino]phenyl]urea
CID 90643997
2-phenyl-6-pyridin-2-yl-4-(trifluoromethyl)pyridine
CID 135069582
[2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)phenyl]urea
CID 141484585
3-methyl-N-(3-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylaniline
CID 90070790
1-(3,5-ditert-butylphenyl)-3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]urea
CID 12990786
2-[3,5-bis(trifluoromethyl)anilino]-N-(2-chloro-3-pyridinyl)acetamide
CID 7592959
4-(2-hydroxypropan-2-yl)-N-(3-pyridin-2-ylphenyl)benzamide
CID 142392143

Frequently Asked Questions

What is the IUPAC name of [3-pyridin-2-yl-5-(trifluoromethyl)phenyl]urea?
The IUPAC name of [3-pyridin-2-yl-5-(trifluoromethyl)phenyl]urea (CID 91501313) is [3-pyridin-2-yl-5-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for [3-pyridin-2-yl-5-(trifluoromethyl)phenyl]urea?
The canonical SMILES for [3-pyridin-2-yl-5-(trifluoromethyl)phenyl]urea is NC(=O)Nc1cc(-c2ccccn2)cc(C(F)(F)F)c1.
What is the InChIKey of [3-pyridin-2-yl-5-(trifluoromethyl)phenyl]urea?
The InChIKey is JMPVMCHDBNUXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c14-13(15,16)9-5-8(11-3-1-2-4-18-11)6-10(7-9)19-12(17)20/h1-7H,(H3,17,19,20).
What are the key properties of [3-pyridin-2-yl-5-(trifluoromethyl)phenyl]urea?
[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]urea has a molecular weight of 281.24 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-pyridin-2-yl-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 91501313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).