2,5-dichloro-6-(4-chloro-3-methoxyphenyl)-3-(trifluoromethyl)pyridine

C13H7Cl3F3NO — CID 19068780

IUPAC2,5-dichloro-6-(4-chloro-3-methoxyphenyl)-3-(trifluoromethyl)pyridine
SMILESCOc1cc(-c2nc(Cl)c(C(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C13H7Cl3F3NO/c1-21-10-4-6(2-3-8(10)14)11-9(15)5-7(12(16)20-11)13(17,18)19/h2-5H,1H3
InChIKeyCFJUUZIESOKOCC-UHFFFAOYSA-N
MW356.56 g/mol
LogP5.74
Rot. Bonds2

About 2,5-dichloro-6-(4-chloro-3-methoxyphenyl)-3-(trifluoromethyl)pyridine

2,5-dichloro-6-(4-chloro-3-methoxyphenyl)-3-(trifluoromethyl)pyridine (PubChem CID 19068780) has the molecular formula C13H7Cl3F3NO and a molecular weight of 356.56 g/mol. Its IUPAC name is 2,5-dichloro-6-(4-chloro-3-methoxyphenyl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2,5-dichloro-6-(4-chloro-3-methoxyphenyl)-3-(trifluoromethyl)pyridine
PubChem CID19068780
Molecular FormulaC13H7Cl3F3NO
Molecular Weight356.56 g/mol
Exact Mass354.95
IUPAC Name2,5-dichloro-6-(4-chloro-3-methoxyphenyl)-3-(trifluoromethyl)pyridine
SMILESCOc1cc(-c2nc(Cl)c(C(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C13H7Cl3F3NO/c1-21-10-4-6(2-3-8(10)14)11-9(15)5-7(12(16)20-11)13(17,18)19/h2-5H,1H3
InChIKeyCFJUUZIESOKOCC-UHFFFAOYSA-N
XLogP5.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.56
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,5-dichloro-6-(4-chloro-3-methoxyphenyl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 2,5-dichloro-6-(4-chloro-3-methoxyphenyl)-3-(trifluoromethyl)pyridine (CID 19068780) is 2,5-dichloro-6-(4-chloro-3-methoxyphenyl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2,5-dichloro-6-(4-chloro-3-methoxyphenyl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2,5-dichloro-6-(4-chloro-3-methoxyphenyl)-3-(trifluoromethyl)pyridine is COc1cc(-c2nc(Cl)c(C(F)(F)F)cc2Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-6-(4-chloro-3-methoxyphenyl)-3-(trifluoromethyl)pyridine?
The InChIKey is CFJUUZIESOKOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3F3NO/c1-21-10-4-6(2-3-8(10)14)11-9(15)5-7(12(16)20-11)13(17,18)19/h2-5H,1H3.
What are the key properties of 2,5-dichloro-6-(4-chloro-3-methoxyphenyl)-3-(trifluoromethyl)pyridine?
2,5-dichloro-6-(4-chloro-3-methoxyphenyl)-3-(trifluoromethyl)pyridine has a molecular weight of 356.56 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-6-(4-chloro-3-methoxyphenyl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 19068780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).