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

C8H8F3N3O — CID 934533

IUPAC1-pyridin-2-yl-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1ccccn1
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)5-13-7(15)14-6-3-1-2-4-12-6/h1-4H,5H2,(H2,12,13,14,15)
InChIKeyXRSOQTLJGALIFE-UHFFFAOYSA-N
MW219.17 g/mol
LogP1.77
Rot. Bonds2

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

1-pyridin-2-yl-3-(2,2,2-trifluoroethyl)urea (PubChem CID 934533) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is 1-pyridin-2-yl-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-pyridin-2-yl-3-(2,2,2-trifluoroethyl)urea
PubChem CID934533
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC Name1-pyridin-2-yl-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1ccccn1
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)5-13-7(15)14-6-3-1-2-4-12-6/h1-4H,5H2,(H2,12,13,14,15)
InChIKeyXRSOQTLJGALIFE-UHFFFAOYSA-N
XLogP1.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-pyridin-2-yl-3-(2,2,2-trifluoroethyl)urea (CID 934533) is 1-pyridin-2-yl-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-pyridin-2-yl-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-pyridin-2-yl-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)Nc1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is XRSOQTLJGALIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c9-8(10,11)5-13-7(15)14-6-3-1-2-4-12-6/h1-4H,5H2,(H2,12,13,14,15).
What are the key properties of 1-pyridin-2-yl-3-(2,2,2-trifluoroethyl)urea?
1-pyridin-2-yl-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 219.17 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 934533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).