3-chloro-2-[4-chloro-3-(dimethoxymethyl)phenyl]-5-(trifluoromethyl)pyridine

C15H12Cl2F3NO2 — CID 19068745

IUPAC3-chloro-2-[4-chloro-3-(dimethoxymethyl)phenyl]-5-(trifluoromethyl)pyridine
SMILESCOC(OC)c1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C15H12Cl2F3NO2/c1-22-14(23-2)10-5-8(3-4-11(10)16)13-12(17)6-9(7-21-13)15(18,19)20/h3-7,14H,1-2H3
InChIKeyOYZRDDWUCMTRMV-UHFFFAOYSA-N
MW366.17 g/mol
LogP5.37
Rot. Bonds4

About 3-chloro-2-[4-chloro-3-(dimethoxymethyl)phenyl]-5-(trifluoromethyl)pyridine

3-chloro-2-[4-chloro-3-(dimethoxymethyl)phenyl]-5-(trifluoromethyl)pyridine (PubChem CID 19068745) has the molecular formula C15H12Cl2F3NO2 and a molecular weight of 366.17 g/mol. Its IUPAC name is 3-chloro-2-[4-chloro-3-(dimethoxymethyl)phenyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[4-chloro-3-(dimethoxymethyl)phenyl]-5-(trifluoromethyl)pyridine
PubChem CID19068745
Molecular FormulaC15H12Cl2F3NO2
Molecular Weight366.17 g/mol
Exact Mass365.02
IUPAC Name3-chloro-2-[4-chloro-3-(dimethoxymethyl)phenyl]-5-(trifluoromethyl)pyridine
SMILESCOC(OC)c1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C15H12Cl2F3NO2/c1-22-14(23-2)10-5-8(3-4-11(10)16)13-12(17)6-9(7-21-13)15(18,19)20/h3-7,14H,1-2H3
InChIKeyOYZRDDWUCMTRMV-UHFFFAOYSA-N
XLogP5.37
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.17
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[4-chloro-3-(dimethoxymethyl)phenyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[4-chloro-3-(dimethoxymethyl)phenyl]-5-(trifluoromethyl)pyridine (CID 19068745) is 3-chloro-2-[4-chloro-3-(dimethoxymethyl)phenyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[4-chloro-3-(dimethoxymethyl)phenyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[4-chloro-3-(dimethoxymethyl)phenyl]-5-(trifluoromethyl)pyridine is COC(OC)c1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl.
What is the InChIKey of 3-chloro-2-[4-chloro-3-(dimethoxymethyl)phenyl]-5-(trifluoromethyl)pyridine?
The InChIKey is OYZRDDWUCMTRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F3NO2/c1-22-14(23-2)10-5-8(3-4-11(10)16)13-12(17)6-9(7-21-13)15(18,19)20/h3-7,14H,1-2H3.
What are the key properties of 3-chloro-2-[4-chloro-3-(dimethoxymethyl)phenyl]-5-(trifluoromethyl)pyridine?
3-chloro-2-[4-chloro-3-(dimethoxymethyl)phenyl]-5-(trifluoromethyl)pyridine has a molecular weight of 366.17 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[4-chloro-3-(dimethoxymethyl)phenyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 19068745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).