1-(2-methoxyphenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]urea

C14H12F3N3O2 — CID 141132005

IUPAC1-(2-methoxyphenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]urea
SMILESCOc1ccccc1NC(=O)Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C14H12F3N3O2/c1-22-10-6-3-2-5-9(10)18-13(21)20-12-8-4-7-11(19-12)14(15,16)17/h2-8H,1H3,(H2,18,19,20,21)
InChIKeyQSBZEOZNRYELBJ-UHFFFAOYSA-N
MW311.26 g/mol
LogP3.75
Rot. Bonds3

About 1-(2-methoxyphenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]urea

1-(2-methoxyphenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]urea (PubChem CID 141132005) has the molecular formula C14H12F3N3O2 and a molecular weight of 311.26 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]urea
PubChem CID141132005
Molecular FormulaC14H12F3N3O2
Molecular Weight311.26 g/mol
Exact Mass311.09
IUPAC Name1-(2-methoxyphenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]urea
SMILESCOc1ccccc1NC(=O)Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C14H12F3N3O2/c1-22-10-6-3-2-5-9(10)18-13(21)20-12-8-4-7-11(19-12)14(15,16)17/h2-8H,1H3,(H2,18,19,20,21)
InChIKeyQSBZEOZNRYELBJ-UHFFFAOYSA-N
XLogP3.75
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]urea (CID 141132005) is 1-(2-methoxyphenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]urea is COc1ccccc1NC(=O)Nc1cccc(C(F)(F)F)n1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]urea?
The InChIKey is QSBZEOZNRYELBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2/c1-22-10-6-3-2-5-9(10)18-13(21)20-12-8-4-7-11(19-12)14(15,16)17/h2-8H,1H3,(H2,18,19,20,21).
What are the key properties of 1-(2-methoxyphenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]urea?
1-(2-methoxyphenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]urea has a molecular weight of 311.26 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]urea is sourced from PubChem (CID 141132005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).