1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea

C9H10F3N3O — CID 47134204

IUPAC1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCc1ccccn1)NCC(F)(F)F
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)6-15-8(16)14-5-7-3-1-2-4-13-7/h1-4H,5-6H2,(H2,14,15,16)
InChIKeyDOAMBIPAJLAHKX-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.44
Rot. Bonds3

About 1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea

1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 47134204) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID47134204
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCc1ccccn1)NCC(F)(F)F
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)6-15-8(16)14-5-7-3-1-2-4-13-7/h1-4H,5-6H2,(H2,14,15,16)
InChIKeyDOAMBIPAJLAHKX-UHFFFAOYSA-N
XLogP1.44
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(pyridin-2-ylmethyl)-3-(trifluoromethyl)urea
CID 108865913
2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide
CID 2164897
2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide
CID 4159002
1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125825
1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108899435
2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
CID 47126081
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402
4-(pyridin-2-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 40665030
1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2897923
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
1-prop-1-en-2-yl-3-(pyridin-2-ylmethyl)urea
CID 108910258
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea (CID 47134204) is 1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCc1ccccn1)NCC(F)(F)F.
What is the InChIKey of 1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is DOAMBIPAJLAHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c10-9(11,12)6-15-8(16)14-5-7-3-1-2-4-13-7/h1-4H,5-6H2,(H2,14,15,16).
What are the key properties of 1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea?
1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 233.19 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 47134204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).