5-(4-methoxybuta-2,3-dien-2-yl)-2-(trifluoromethyl)pyridine

C11H10F3NO — CID 176990281

IUPAC5-(4-methoxybuta-2,3-dien-2-yl)-2-(trifluoromethyl)pyridine
SMILESCOC=C=C(C)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H10F3NO/c1-8(5-6-16-2)9-3-4-10(15-7-9)11(12,13)14/h3-4,6-7H,1-2H3
InChIKeyKECOVPPDFMPLJN-UHFFFAOYSA-N
MW229.20 g/mol
LogP3.26
Rot. Bonds2

About 5-(4-methoxybuta-2,3-dien-2-yl)-2-(trifluoromethyl)pyridine

5-(4-methoxybuta-2,3-dien-2-yl)-2-(trifluoromethyl)pyridine (PubChem CID 176990281) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 5-(4-methoxybuta-2,3-dien-2-yl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(4-methoxybuta-2,3-dien-2-yl)-2-(trifluoromethyl)pyridine
PubChem CID176990281
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name5-(4-methoxybuta-2,3-dien-2-yl)-2-(trifluoromethyl)pyridine
SMILESCOC=C=C(C)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H10F3NO/c1-8(5-6-16-2)9-3-4-10(15-7-9)11(12,13)14/h3-4,6-7H,1-2H3
InChIKeyKECOVPPDFMPLJN-UHFFFAOYSA-N
XLogP3.26
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]pent-3-en-2-one
CID 70838050
methyl 3-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enoate
CID 170922910
bis[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 87948655
N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine
CID 178028056
ethyl (E)-3-[6-(trifluoromethyl)-3-pyridinyl]but-2-enoate
CID 148628577
ethane;N-methoxy-N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethenamine
CID 178028055
2-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-1-one
CID 162613726
2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one
CID 59943629
N-(5-acetyl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 167658935
N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethylidene]methanesulfonamide
CID 141181632
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
3-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propanenitrile
CID 68703655

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxybuta-2,3-dien-2-yl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-(4-methoxybuta-2,3-dien-2-yl)-2-(trifluoromethyl)pyridine (CID 176990281) is 5-(4-methoxybuta-2,3-dien-2-yl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(4-methoxybuta-2,3-dien-2-yl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(4-methoxybuta-2,3-dien-2-yl)-2-(trifluoromethyl)pyridine is COC=C=C(C)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 5-(4-methoxybuta-2,3-dien-2-yl)-2-(trifluoromethyl)pyridine?
The InChIKey is KECOVPPDFMPLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-8(5-6-16-2)9-3-4-10(15-7-9)11(12,13)14/h3-4,6-7H,1-2H3.
What are the key properties of 5-(4-methoxybuta-2,3-dien-2-yl)-2-(trifluoromethyl)pyridine?
5-(4-methoxybuta-2,3-dien-2-yl)-2-(trifluoromethyl)pyridine has a molecular weight of 229.20 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxybuta-2,3-dien-2-yl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 176990281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).