3-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)pyridine

C13H7Cl2F4NO — CID 11002295

IUPAC3-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)pyridine
SMILESCOc1cc(-c2ncc(C(F)(F)F)cc2Cl)c(F)cc1Cl
InChIInChI=1S/C13H7Cl2F4NO/c1-21-11-3-7(10(16)4-8(11)14)12-9(15)2-6(5-20-12)13(17,18)19/h2-5H,1H3
InChIKeyQNGJPQXLIFDBAT-UHFFFAOYSA-N
MW340.10 g/mol
LogP5.22
Rot. Bonds2

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

3-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)pyridine (PubChem CID 11002295) has the molecular formula C13H7Cl2F4NO and a molecular weight of 340.10 g/mol. Its IUPAC name is 3-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)pyridine
PubChem CID11002295
Molecular FormulaC13H7Cl2F4NO
Molecular Weight340.10 g/mol
Exact Mass338.98
IUPAC Name3-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)pyridine
SMILESCOc1cc(-c2ncc(C(F)(F)F)cc2Cl)c(F)cc1Cl
InChIInChI=1S/C13H7Cl2F4NO/c1-21-11-3-7(10(16)4-8(11)14)12-9(15)2-6(5-20-12)13(17,18)19/h2-5H,1H3
InChIKeyQNGJPQXLIFDBAT-UHFFFAOYSA-N
XLogP5.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.10
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)pyridine (CID 11002295) is 3-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)pyridine is COc1cc(-c2ncc(C(F)(F)F)cc2Cl)c(F)cc1Cl.
What is the InChIKey of 3-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)pyridine?
The InChIKey is QNGJPQXLIFDBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F4NO/c1-21-11-3-7(10(16)4-8(11)14)12-9(15)2-6(5-20-12)13(17,18)19/h2-5H,1H3.
What are the key properties of 3-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)pyridine?
3-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)pyridine has a molecular weight of 340.10 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 11002295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).