[3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]urea

C7H6F3N3O2 — CID 69286520

IUPAC[3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]urea
SMILESNC(=O)Nc1nccc(C(F)(F)F)c1O
InChIInChI=1S/C7H6F3N3O2/c8-7(9,10)3-1-2-12-5(4(3)14)13-6(11)15/h1-2,14H,(H3,11,12,13,15)
InChIKeyZKXVVJOUVDUNFF-UHFFFAOYSA-N
MW221.14 g/mol
LogP1.30
Rot. Bonds1

About [3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]urea

[3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]urea (PubChem CID 69286520) has the molecular formula C7H6F3N3O2 and a molecular weight of 221.14 g/mol. Its IUPAC name is [3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name[3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]urea
PubChem CID69286520
Molecular FormulaC7H6F3N3O2
Molecular Weight221.14 g/mol
Exact Mass221.04
IUPAC Name[3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]urea
SMILESNC(=O)Nc1nccc(C(F)(F)F)c1O
InChIInChI=1S/C7H6F3N3O2/c8-7(9,10)3-1-2-12-5(4(3)14)13-6(11)15/h1-2,14H,(H3,11,12,13,15)
InChIKeyZKXVVJOUVDUNFF-UHFFFAOYSA-N
XLogP1.30
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]urea?
The IUPAC name of [3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]urea (CID 69286520) is [3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]urea.
What is the SMILES notation for [3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]urea?
The canonical SMILES for [3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]urea is NC(=O)Nc1nccc(C(F)(F)F)c1O.
What is the InChIKey of [3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]urea?
The InChIKey is ZKXVVJOUVDUNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O2/c8-7(9,10)3-1-2-12-5(4(3)14)13-6(11)15/h1-2,14H,(H3,11,12,13,15).
What are the key properties of [3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]urea?
[3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]urea has a molecular weight of 221.14 g/mol, XLogP of 1.30, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-4-(trifluoromethyl)-2-pyridinyl]urea is sourced from PubChem (CID 69286520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).