1-(4-methyl-2-pyridinyl)-3-(2,3,4-trifluorophenyl)urea

C13H10F3N3O — CID 108892618

IUPAC1-(4-methyl-2-pyridinyl)-3-(2,3,4-trifluorophenyl)urea
SMILESCc1ccnc(NC(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C13H10F3N3O/c1-7-4-5-17-10(6-7)19-13(20)18-9-3-2-8(14)11(15)12(9)16/h2-6H,1H3,(H2,17,18,19,20)
InChIKeyNWFXSEPLHIASSG-UHFFFAOYSA-N
MW281.24 g/mol
LogP3.45
Rot. Bonds2

About 1-(4-methyl-2-pyridinyl)-3-(2,3,4-trifluorophenyl)urea

1-(4-methyl-2-pyridinyl)-3-(2,3,4-trifluorophenyl)urea (PubChem CID 108892618) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is 1-(4-methyl-2-pyridinyl)-3-(2,3,4-trifluorophenyl)urea.

Molecular Properties

Compound Name1-(4-methyl-2-pyridinyl)-3-(2,3,4-trifluorophenyl)urea
PubChem CID108892618
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC Name1-(4-methyl-2-pyridinyl)-3-(2,3,4-trifluorophenyl)urea
SMILESCc1ccnc(NC(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C13H10F3N3O/c1-7-4-5-17-10(6-7)19-13(20)18-9-3-2-8(14)11(15)12(9)16/h2-6H,1H3,(H2,17,18,19,20)
InChIKeyNWFXSEPLHIASSG-UHFFFAOYSA-N
XLogP3.45
TPSA54.02 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 ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-2-pyridinyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892659
1-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)urea
CID 970486
1-(2-amino-5-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892628
1-(5-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892469
N-(2,4-dichlorophenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 108502942
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892630
ethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea
CID 170575881
N-(2-methoxy-5-methylphenyl)-2-(2,3,4-trifluoroanilino)pyridine-4-carboxamide
CID 109178240
4-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109221903
1-(4-tert-butylphenyl)-3-(4-methyl-2-pyridinyl)urea
CID 108884892
2,2,2-trifluoro-N-(4-methyl-2-pyridinyl)acetamide
CID 3568056
1-cyclopropyl-3-(4-methyl-2-pyridinyl)urea
CID 108887621

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-pyridinyl)-3-(2,3,4-trifluorophenyl)urea?
The IUPAC name of 1-(4-methyl-2-pyridinyl)-3-(2,3,4-trifluorophenyl)urea (CID 108892618) is 1-(4-methyl-2-pyridinyl)-3-(2,3,4-trifluorophenyl)urea.
What is the SMILES notation for 1-(4-methyl-2-pyridinyl)-3-(2,3,4-trifluorophenyl)urea?
The canonical SMILES for 1-(4-methyl-2-pyridinyl)-3-(2,3,4-trifluorophenyl)urea is Cc1ccnc(NC(=O)Nc2ccc(F)c(F)c2F)c1.
What is the InChIKey of 1-(4-methyl-2-pyridinyl)-3-(2,3,4-trifluorophenyl)urea?
The InChIKey is NWFXSEPLHIASSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c1-7-4-5-17-10(6-7)19-13(20)18-9-3-2-8(14)11(15)12(9)16/h2-6H,1H3,(H2,17,18,19,20).
What are the key properties of 1-(4-methyl-2-pyridinyl)-3-(2,3,4-trifluorophenyl)urea?
1-(4-methyl-2-pyridinyl)-3-(2,3,4-trifluorophenyl)urea has a molecular weight of 281.24 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-pyridinyl)-3-(2,3,4-trifluorophenyl)urea is sourced from PubChem (CID 108892618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).