2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-(trifluoromethyl)pyridine

C14H12ClF3N2O — CID 103174626

IUPAC2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-(trifluoromethyl)pyridine
SMILESCCc1nc(C)ccc1Oc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C14H12ClF3N2O/c1-3-10-11(5-4-8(2)19-10)21-13-7-9(14(16,17)18)6-12(15)20-13/h4-7H,3H2,1-2H3
InChIKeyBFYNCJXDMFXZCY-UHFFFAOYSA-N
MW316.71 g/mol
LogP4.81
Rot. Bonds3

About 2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-(trifluoromethyl)pyridine

2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-(trifluoromethyl)pyridine (PubChem CID 103174626) has the molecular formula C14H12ClF3N2O and a molecular weight of 316.71 g/mol. Its IUPAC name is 2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-(trifluoromethyl)pyridine
PubChem CID103174626
Molecular FormulaC14H12ClF3N2O
Molecular Weight316.71 g/mol
Exact Mass316.06
IUPAC Name2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-(trifluoromethyl)pyridine
SMILESCCc1nc(C)ccc1Oc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C14H12ClF3N2O/c1-3-10-11(5-4-8(2)19-10)21-13-7-9(14(16,17)18)6-12(15)20-13/h4-7H,3H2,1-2H3
InChIKeyBFYNCJXDMFXZCY-UHFFFAOYSA-N
XLogP4.81
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-(trifluoromethyl)pyridine (CID 103174626) is 2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-(trifluoromethyl)pyridine is CCc1nc(C)ccc1Oc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-(trifluoromethyl)pyridine?
The InChIKey is BFYNCJXDMFXZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O/c1-3-10-11(5-4-8(2)19-10)21-13-7-9(14(16,17)18)6-12(15)20-13/h4-7H,3H2,1-2H3.
What are the key properties of 2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-(trifluoromethyl)pyridine?
2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-(trifluoromethyl)pyridine has a molecular weight of 316.71 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 103174626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).