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

C15H12Cl2F3NO2 — CID 19068743

IUPAC3-chloro-2-(4-chloro-3-methoxyphenyl)-6-ethoxy-5-(trifluoromethyl)pyridine
SMILESCCOc1nc(-c2ccc(Cl)c(OC)c2)c(Cl)cc1C(F)(F)F
InChIInChI=1S/C15H12Cl2F3NO2/c1-3-23-14-9(15(18,19)20)7-11(17)13(21-14)8-4-5-10(16)12(6-8)22-2/h4-7H,3H2,1-2H3
InChIKeySZMKVFKKQVUBGD-UHFFFAOYSA-N
MW366.17 g/mol
LogP5.48
Rot. Bonds4

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

3-chloro-2-(4-chloro-3-methoxyphenyl)-6-ethoxy-5-(trifluoromethyl)pyridine (PubChem CID 19068743) has the molecular formula C15H12Cl2F3NO2 and a molecular weight of 366.17 g/mol. Its IUPAC name is 3-chloro-2-(4-chloro-3-methoxyphenyl)-6-ethoxy-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(4-chloro-3-methoxyphenyl)-6-ethoxy-5-(trifluoromethyl)pyridine
PubChem CID19068743
Molecular FormulaC15H12Cl2F3NO2
Molecular Weight366.17 g/mol
Exact Mass365.02
IUPAC Name3-chloro-2-(4-chloro-3-methoxyphenyl)-6-ethoxy-5-(trifluoromethyl)pyridine
SMILESCCOc1nc(-c2ccc(Cl)c(OC)c2)c(Cl)cc1C(F)(F)F
InChIInChI=1S/C15H12Cl2F3NO2/c1-3-23-14-9(15(18,19)20)7-11(17)13(21-14)8-4-5-10(16)12(6-8)22-2/h4-7H,3H2,1-2H3
InChIKeySZMKVFKKQVUBGD-UHFFFAOYSA-N
XLogP5.48
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 ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-chloro-3-methoxyphenyl)-6-ethoxy-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(4-chloro-3-methoxyphenyl)-6-ethoxy-5-(trifluoromethyl)pyridine (CID 19068743) is 3-chloro-2-(4-chloro-3-methoxyphenyl)-6-ethoxy-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(4-chloro-3-methoxyphenyl)-6-ethoxy-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(4-chloro-3-methoxyphenyl)-6-ethoxy-5-(trifluoromethyl)pyridine is CCOc1nc(-c2ccc(Cl)c(OC)c2)c(Cl)cc1C(F)(F)F.
What is the InChIKey of 3-chloro-2-(4-chloro-3-methoxyphenyl)-6-ethoxy-5-(trifluoromethyl)pyridine?
The InChIKey is SZMKVFKKQVUBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F3NO2/c1-3-23-14-9(15(18,19)20)7-11(17)13(21-14)8-4-5-10(16)12(6-8)22-2/h4-7H,3H2,1-2H3.
What are the key properties of 3-chloro-2-(4-chloro-3-methoxyphenyl)-6-ethoxy-5-(trifluoromethyl)pyridine?
3-chloro-2-(4-chloro-3-methoxyphenyl)-6-ethoxy-5-(trifluoromethyl)pyridine has a molecular weight of 366.17 g/mol, XLogP of 5.48, 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-methoxyphenyl)-6-ethoxy-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 19068743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).