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

C14H12F3N3O — CID 141484585

IUPAC[2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)phenyl]urea
SMILESCc1ncccc1-c1ccc(C(F)(F)F)cc1NC(N)=O
InChIInChI=1S/C14H12F3N3O/c1-8-10(3-2-6-19-8)11-5-4-9(14(15,16)17)7-12(11)20-13(18)21/h2-7H,1H3,(H3,18,20,21)
InChIKeyXEXOWVNZAGWZKX-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.57
Rot. Bonds2

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

[2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)phenyl]urea (PubChem CID 141484585) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is [2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name[2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)phenyl]urea
PubChem CID141484585
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC Name[2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)phenyl]urea
SMILESCc1ncccc1-c1ccc(C(F)(F)F)cc1NC(N)=O
InChIInChI=1S/C14H12F3N3O/c1-8-10(3-2-6-19-8)11-5-4-9(14(15,16)17)7-12(11)20-13(18)21/h2-7H,1H3,(H3,18,20,21)
InChIKeyXEXOWVNZAGWZKX-UHFFFAOYSA-N
XLogP3.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)phenyl]urea
CID 141484570
[2-[3-(2-hydroxypropan-2-yl)phenyl]-5-(trifluoromethyl)phenyl]urea
CID 141484569
N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 162536125
3-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 104742636
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-pyridin-2-ylurea
CID 141145746
[5-(trifluoromethyl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]urea
CID 141484568
[2-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)phenyl]carbamic acid
CID 90912923
N-[2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)phenyl]acetamide
CID 163885553
N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 16777614
[2-hydroxy-4-[4-(trifluoromethyl)phenyl]phenyl]urea
CID 11716321
2-(carbamoylamino)-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzoic acid
CID 18471660
[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]urea
CID 91501313

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)phenyl]urea?
The IUPAC name of [2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)phenyl]urea (CID 141484585) is [2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for [2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)phenyl]urea?
The canonical SMILES for [2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)phenyl]urea is Cc1ncccc1-c1ccc(C(F)(F)F)cc1NC(N)=O.
What is the InChIKey of [2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)phenyl]urea?
The InChIKey is XEXOWVNZAGWZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c1-8-10(3-2-6-19-8)11-5-4-9(14(15,16)17)7-12(11)20-13(18)21/h2-7H,1H3,(H3,18,20,21).
What are the key properties of [2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)phenyl]urea?
[2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)phenyl]urea has a molecular weight of 295.26 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 141484585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).