[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]urea

C13H9ClF3N3O2 — CID 1485964

IUPAC[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]urea
SMILESNC(=O)Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C13H9ClF3N3O2/c14-10-5-7(13(15,16)17)6-19-11(10)22-9-3-1-8(2-4-9)20-12(18)21/h1-6H,(H3,18,20,21)
InChIKeyTURPWZFZBYFPPS-UHFFFAOYSA-N
MW331.68 g/mol
LogP4.04
Rot. Bonds3

About [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]urea

[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]urea (PubChem CID 1485964) has the molecular formula C13H9ClF3N3O2 and a molecular weight of 331.68 g/mol. Its IUPAC name is [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]urea.

Molecular Properties

Compound Name[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]urea
PubChem CID1485964
Molecular FormulaC13H9ClF3N3O2
Molecular Weight331.68 g/mol
Exact Mass331.03
IUPAC Name[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]urea
SMILESNC(=O)Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C13H9ClF3N3O2/c14-10-5-7(13(15,16)17)6-19-11(10)22-9-3-1-8(2-4-9)20-12(18)21/h1-6H,(H3,18,20,21)
InChIKeyTURPWZFZBYFPPS-UHFFFAOYSA-N
XLogP4.04
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.68
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)aniline
CID 2773892
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[(1r,4r)-4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}cyclohexyl]urea
CID 60196635
1-(4-Chlorophenyl)-3-[2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]urea
CID 68528291
1-(3-Chlorophenyl)-3-[2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]urea
CID 68534894
N-[(E,2S)-4-[6-[2-chloro-4-(2,2-difluoroethoxy)phenoxy]pyridin-3-yl]but-3-en-2-yl]acetamide
CID 118344351
3-[4-Chloro-3-(trifluoromethyl)phenyl]-1-[4-(pyridin-4-yloxy)phenyl]urea
CID 9801534
N-(3-Chloro-4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenyl)cyclopropanecarboxamide
CID 1479550
2-(2-Chloroacetyl)-3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)acrylonitrile
CID 1480366
Methyl-phenyl-carbamic acid 4-(3-chloro-5-trifluoromethylpyridin-2-yloxy)-phenyl
CID 10287897
3-(3-Chloro-4-{[5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-3-oxopropanoic acid
CID 1487271
1-[4-(Trifluoromethoxy)phenyl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea
CID 2800832
5-Chloro-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinamine
CID 46834097

Frequently Asked Questions

What is the IUPAC name of [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]urea?
The IUPAC name of [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]urea (CID 1485964) is [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]urea.
What is the SMILES notation for [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]urea?
The canonical SMILES for [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]urea is NC(=O)Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]urea?
The InChIKey is TURPWZFZBYFPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N3O2/c14-10-5-7(13(15,16)17)6-19-11(10)22-9-3-1-8(2-4-9)20-12(18)21/h1-6H,(H3,18,20,21).
What are the key properties of [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]urea?
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]urea has a molecular weight of 331.68 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]urea is sourced from PubChem (CID 1485964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).