1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)urea

C8H8F3N3O — CID 108866068

IUPAC1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)urea
SMILESCc1cccnc1NC(=O)NC(F)(F)F
InChIInChI=1S/C8H8F3N3O/c1-5-3-2-4-12-6(5)13-7(15)14-8(9,10)11/h2-4H,1H3,(H2,12,13,14,15)
InChIKeyFSQITDATDJHOAW-UHFFFAOYSA-N
MW219.17 g/mol
LogP2.03
Rot. Bonds1

About 1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)urea

1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)urea (PubChem CID 108866068) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is 1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)urea.

Molecular Properties

Compound Name1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)urea
PubChem CID108866068
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC Name1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)urea
SMILESCc1cccnc1NC(=O)NC(F)(F)F
InChIInChI=1S/C8H8F3N3O/c1-5-3-2-4-12-6(5)13-7(15)14-8(9,10)11/h2-4H,1H3,(H2,12,13,14,15)
InChIKeyFSQITDATDJHOAW-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(3-methyl-2-pyridinyl)-3-(2-phenylpropan-2-yl)urea
CID 47447190
1-methyl-3-(3-methyl-2-pyridinyl)urea
CID 17171367
2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
CID 1479965
1-ethenyl-3-(3-methyl-2-pyridinyl)urea
CID 108909309
1-(3,5-dimethylphenyl)-3-(3-methyl-2-pyridinyl)urea
CID 6464451
N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 43616345
2,2-dimethyl-N-[(3-methyl-2-pyridinyl)carbamothioyl]propanamide
CID 17099829
1-[(2-methylphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
CID 108897270
1-[(E)-2,3-dimethylbut-1-enyl]-3-(3-methyl-2-pyridinyl)urea
CID 108914841
1-benzhydryl-3-(3-methyl-2-pyridinyl)urea
CID 108867567
1-(3-methyl-2-pyridinyl)-3-(4-phenylphenyl)urea
CID 108867188
(2R)-2-hydroxy-N-(3-methyl-2-pyridinyl)propanamide
CID 130662699

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)urea?
The IUPAC name of 1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)urea (CID 108866068) is 1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)urea.
What is the SMILES notation for 1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)urea?
The canonical SMILES for 1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)urea is Cc1cccnc1NC(=O)NC(F)(F)F.
What is the InChIKey of 1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)urea?
The InChIKey is FSQITDATDJHOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c1-5-3-2-4-12-6(5)13-7(15)14-8(9,10)11/h2-4H,1H3,(H2,12,13,14,15).
What are the key properties of 1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)urea?
1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)urea has a molecular weight of 219.17 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)urea is sourced from PubChem (CID 108866068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).