1-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea

C8H8F3N3O — CID 2726846

IUPAC1-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea
SMILESCNC(=O)Nc1cnccc1C(F)(F)F
InChIInChI=1S/C8H8F3N3O/c1-12-7(15)14-6-4-13-3-2-5(6)8(9,10)11/h2-4H,1H3,(H2,12,14,15)
InChIKeyGIOAUKAXVBCFRO-UHFFFAOYSA-N
MW219.17 g/mol
LogP1.85
Rot. Bonds1

About 1-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea

1-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea (PubChem CID 2726846) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is 1-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea
PubChem CID2726846
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC Name1-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea
SMILESCNC(=O)Nc1cnccc1C(F)(F)F
InChIInChI=1S/C8H8F3N3O/c1-12-7(15)14-6-4-13-3-2-5(6)8(9,10)11/h2-4H,1H3,(H2,12,14,15)
InChIKeyGIOAUKAXVBCFRO-UHFFFAOYSA-N
XLogP1.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-(trifluoromethyl)pyridin-3-amine
CID 67229905
1-methyl-3-(3-methyl-4-pyridinyl)urea
CID 103881209
N-methyl-3-(trifluoromethyl)pyridine-4-carboxamide
CID 58243648
1-methyl-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 115575822
2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102709315
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylurea
CID 47456942
4-(trifluoromethyl)-N-trimethylsilylpyridine-3-carboxamide
CID 170555219
2-methyl-2-[3-(trifluoromethyl)-4-pyridinyl]propanoic acid
CID 115008846
1-[4-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 115009240

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea?
The IUPAC name of 1-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea (CID 2726846) is 1-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea.
What is the SMILES notation for 1-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea?
The canonical SMILES for 1-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea is CNC(=O)Nc1cnccc1C(F)(F)F.
What is the InChIKey of 1-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea?
The InChIKey is GIOAUKAXVBCFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c1-12-7(15)14-6-4-13-3-2-5(6)8(9,10)11/h2-4H,1H3,(H2,12,14,15).
What are the key properties of 1-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea?
1-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea has a molecular weight of 219.17 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea is sourced from PubChem (CID 2726846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).