2-chloro-6-(2-methoxyethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine;2,6-dichloro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine

C25H17Cl3F6N4O2 — CID 159479838

IUPAC2-chloro-6-(2-methoxyethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine;2,6-dichloro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine
SMILESCOCCOc1cc(-c2ccc(C(F)(F)F)nc2)cc(Cl)n1.FC(F)(F)c1ccc(-c2cc(Cl)nc(Cl)c2)cn1
InChIInChI=1S/C14H12ClF3N2O2.C11H5Cl2F3N2/c1-21-4-5-22-13-7-10(6-12(15)20-13)9-2-3-11(19-8-9)14(16,17)18;12-9-3-7(4-10(13)18-9)6-1-2-8(17-5-6)11(14,15)16/h2-3,6-8H,4-5H2,1H3;1-5H
InChIKeyLWWAIOPZYIJFMA-UHFFFAOYSA-N
MW625.78 g/mol
LogP8.31
Rot. Bonds6

About 2-chloro-6-(2-methoxyethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine;2,6-dichloro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine

2-chloro-6-(2-methoxyethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine;2,6-dichloro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine (PubChem CID 159479838) has the molecular formula C25H17Cl3F6N4O2 and a molecular weight of 625.78 g/mol. Its IUPAC name is 2-chloro-6-(2-methoxyethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine;2,6-dichloro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine.

Molecular Properties

Compound Name2-chloro-6-(2-methoxyethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine;2,6-dichloro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine
PubChem CID159479838
Molecular FormulaC25H17Cl3F6N4O2
Molecular Weight625.78 g/mol
Exact Mass624.03
IUPAC Name2-chloro-6-(2-methoxyethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine;2,6-dichloro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine
SMILESCOCCOc1cc(-c2ccc(C(F)(F)F)nc2)cc(Cl)n1.FC(F)(F)c1ccc(-c2cc(Cl)nc(Cl)c2)cn1
InChIInChI=1S/C14H12ClF3N2O2.C11H5Cl2F3N2/c1-21-4-5-22-13-7-10(6-12(15)20-13)9-2-3-11(19-8-9)14(16,17)18;12-9-3-7(4-10(13)18-9)6-1-2-8(17-5-6)11(14,15)16/h2-3,6-8H,4-5H2,1H3;1-5H
InChIKeyLWWAIOPZYIJFMA-UHFFFAOYSA-N
XLogP8.31
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.78
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-Fluoro-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]pyridin-2-yl]methyl]phenyl]pyridine
CID 118073511
2-Methoxy-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]pyridin-2-yl]methyl]phenyl]pyridine
CID 118073516
2-(6-Fluoro-3-pyridinyl)-4-(2-methoxy-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)pyridine
CID 102169169
2-(6-Fluoro-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-4-(6-methoxy-3-pyridinyl)pyridine
CID 138963270
(E)-1-(2-chlorophenyl)-N-methoxy-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]methanimine
CID 76308737
(Z)-1-(4-chlorophenyl)-N-methoxy-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]methanimine
CID 76312464
(Z)-1-(3-chlorophenyl)-N-methoxy-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]methanimine
CID 76330533
2-[(2-Chloro-4-pyridinyl)oxy]-3,5-difluoro-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine
CID 15540340
2-Chloro-4-[[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]pyridine
CID 17889676
2-[(2-Chloro-4-pyridinyl)oxy]-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 18359726
2-Chloro-4-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]pyridine
CID 18784493
2-[(2-Chloro-4-pyridinyl)oxy]-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine
CID 18784497

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-methoxyethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine;2,6-dichloro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine?
The IUPAC name of 2-chloro-6-(2-methoxyethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine;2,6-dichloro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine (CID 159479838) is 2-chloro-6-(2-methoxyethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine;2,6-dichloro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine.
What is the SMILES notation for 2-chloro-6-(2-methoxyethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine;2,6-dichloro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine?
The canonical SMILES for 2-chloro-6-(2-methoxyethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine;2,6-dichloro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine is COCCOc1cc(-c2ccc(C(F)(F)F)nc2)cc(Cl)n1.FC(F)(F)c1ccc(-c2cc(Cl)nc(Cl)c2)cn1.
What is the InChIKey of 2-chloro-6-(2-methoxyethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine;2,6-dichloro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine?
The InChIKey is LWWAIOPZYIJFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O2.C11H5Cl2F3N2/c1-21-4-5-22-13-7-10(6-12(15)20-13)9-2-3-11(19-8-9)14(16,17)18;12-9-3-7(4-10(13)18-9)6-1-2-8(17-5-6)11(14,15)16/h2-3,6-8H,4-5H2,1H3;1-5H.
What are the key properties of 2-chloro-6-(2-methoxyethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine;2,6-dichloro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine?
2-chloro-6-(2-methoxyethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine;2,6-dichloro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine has a molecular weight of 625.78 g/mol, XLogP of 8.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methoxyethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine;2,6-dichloro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine is sourced from PubChem (CID 159479838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).