5-[(E)-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxypentanoic acid

C18H17F3N2O3 — CID 18675838

IUPAC5-[(E)-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxypentanoic acid
SMILESO=C(O)CCCCO/N=C(\c1cccc(C(F)(F)F)c1)c1ccccn1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)14-7-5-6-13(12-14)17(15-8-1-3-10-22-15)23-26-11-4-2-9-16(24)25/h1,3,5-8,10,12H,2,4,9,11H2,(H,24,25)/b23-17+
InChIKeyZYNMHIHYGSUTLA-HAVVHWLPSA-N
MW366.34 g/mol
LogP4.12
Rot. Bonds8

About 5-[(E)-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxypentanoic acid

5-[(E)-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxypentanoic acid (PubChem CID 18675838) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 5-[(E)-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxypentanoic acid.

Molecular Properties

Compound Name5-[(E)-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxypentanoic acid
PubChem CID18675838
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name5-[(E)-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxypentanoic acid
SMILESO=C(O)CCCCO/N=C(\c1cccc(C(F)(F)F)c1)c1ccccn1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)14-7-5-6-13(12-14)17(15-8-1-3-10-22-15)23-26-11-4-2-9-16(24)25/h1,3,5-8,10,12H,2,4,9,11H2,(H,24,25)/b23-17+
InChIKeyZYNMHIHYGSUTLA-HAVVHWLPSA-N
XLogP4.12
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(Z)-[pyridazin-3-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxypentanoic acid
CID 23276767
6-[(E)-[pyrimidin-4-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxyhexanoic acid
CID 10762387
ethyl 5-[(E)-[pyridazin-3-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxypentanoate
CID 10548707
4-[(Z)-[phenyl(pyridazin-3-yl)methylidene]amino]oxybutanoic acid
CID 10684529
4-[(E)-[phenyl(pyrimidin-4-yl)methylidene]amino]oxybutanoic acid
CID 10731842
4-[3-(trifluoromethyl)benzoyl]oxybutanoic acid
CID 126727259
[(E)-[phenyl(pyridin-2-yl)methylidene]amino] butanoate
CID 10084390
1-O-(benzhydrylideneamino) 4-O-[(E)-[phenyl(pyridin-2-yl)methylidene]amino] butanedioate
CID 59685826
(Z)-1-phenyl-N-phenylmethoxy-1-pyridin-2-ylmethanimine
CID 87293171
N,N-diethyl-2-[[phenyl(pyridin-2-yl)methylidene]amino]oxyethanamine
CID 26478
(NE)-N-[pyridazin-3-yl-[3-(trifluoromethyl)phenyl]methylidene]hydroxylamine
CID 136759484
N'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]pyridine-2-carbohydrazide
CID 27662248

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxypentanoic acid?
The IUPAC name of 5-[(E)-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxypentanoic acid (CID 18675838) is 5-[(E)-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxypentanoic acid.
What is the SMILES notation for 5-[(E)-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxypentanoic acid?
The canonical SMILES for 5-[(E)-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxypentanoic acid is O=C(O)CCCCO/N=C(\c1cccc(C(F)(F)F)c1)c1ccccn1.
What is the InChIKey of 5-[(E)-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxypentanoic acid?
The InChIKey is ZYNMHIHYGSUTLA-HAVVHWLPSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c19-18(20,21)14-7-5-6-13(12-14)17(15-8-1-3-10-22-15)23-26-11-4-2-9-16(24)25/h1,3,5-8,10,12H,2,4,9,11H2,(H,24,25)/b23-17+.
What are the key properties of 5-[(E)-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxypentanoic acid?
5-[(E)-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxypentanoic acid has a molecular weight of 366.34 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxypentanoic acid is sourced from PubChem (CID 18675838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).