2-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]oxy-5-(trifluoromethyl)pyridine

C14H14F3NO2 — CID 162576905

IUPAC2-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]oxy-5-(trifluoromethyl)pyridine
SMILESC=C/C(=C\C=C(/C)OC)Oc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H14F3NO2/c1-4-12(7-5-10(2)19-3)20-13-8-6-11(9-18-13)14(15,16)17/h4-9H,1H2,2-3H3/b10-5+,12-7+
InChIKeyLMGWPAKEYTUKPB-JLLMHHPOSA-N
MW285.27 g/mol
LogP4.10
Rot. Bonds5

About 2-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]oxy-5-(trifluoromethyl)pyridine

2-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]oxy-5-(trifluoromethyl)pyridine (PubChem CID 162576905) has the molecular formula C14H14F3NO2 and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]oxy-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]oxy-5-(trifluoromethyl)pyridine
PubChem CID162576905
Molecular FormulaC14H14F3NO2
Molecular Weight285.27 g/mol
Exact Mass285.10
IUPAC Name2-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]oxy-5-(trifluoromethyl)pyridine
SMILESC=C/C(=C\C=C(/C)OC)Oc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H14F3NO2/c1-4-12(7-5-10(2)19-3)20-13-8-6-11(9-18-13)14(15,16)17/h4-9H,1H2,2-3H3/b10-5+,12-7+
InChIKeyLMGWPAKEYTUKPB-JLLMHHPOSA-N
XLogP4.10
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]prop-2-enamide
CID 166924916
[5-(trifluoromethyl)-2-pyridinyl] 2-hydroxyacetate
CID 86171784
2-methylsulfanyloxy-5-(trifluoromethyl)pyridine
CID 129204089
N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]prop-2-enamide
CID 166924895
2-(2-methoxyphenoxy)-5-(trifluoromethyl)pyridine
CID 70516115
methyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate
CID 139703755
N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 54593529
(2R,3S)-2-(6-methoxy-3-pyridinyl)-3-methylpent-4-en-2-ol
CID 166443721
ethane;2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 143180631
N-[(6-methoxy-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 28712185
(4-acetylphenyl) 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
CID 27873697
5-(trifluoromethyl)-2-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]propoxy]pyridine
CID 57449137

Frequently Asked Questions

What is the IUPAC name of 2-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]oxy-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]oxy-5-(trifluoromethyl)pyridine (CID 162576905) is 2-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]oxy-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]oxy-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]oxy-5-(trifluoromethyl)pyridine is C=C/C(=C\C=C(/C)OC)Oc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]oxy-5-(trifluoromethyl)pyridine?
The InChIKey is LMGWPAKEYTUKPB-JLLMHHPOSA-N. The full InChI is InChI=1S/C14H14F3NO2/c1-4-12(7-5-10(2)19-3)20-13-8-6-11(9-18-13)14(15,16)17/h4-9H,1H2,2-3H3/b10-5+,12-7+.
What are the key properties of 2-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]oxy-5-(trifluoromethyl)pyridine?
2-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]oxy-5-(trifluoromethyl)pyridine has a molecular weight of 285.27 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]oxy-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 162576905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).