3-chloro-2-[4-chloro-3-(4-methyl-1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine

C16H12Cl2F3NO2 — CID 19068754

IUPAC3-chloro-2-[4-chloro-3-(4-methyl-1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine
SMILESCC1COC(c2cc(-c3ncc(C(F)(F)F)cc3Cl)ccc2Cl)O1
InChIInChI=1S/C16H12Cl2F3NO2/c1-8-7-23-15(24-8)11-4-9(2-3-12(11)17)14-13(18)5-10(6-22-14)16(19,20)21/h2-6,8,15H,7H2,1H3
InChIKeyHGSLFVOJJAEMKM-UHFFFAOYSA-N
MW378.18 g/mol
LogP5.51
Rot. Bonds2

About 3-chloro-2-[4-chloro-3-(4-methyl-1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine

3-chloro-2-[4-chloro-3-(4-methyl-1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine (PubChem CID 19068754) has the molecular formula C16H12Cl2F3NO2 and a molecular weight of 378.18 g/mol. Its IUPAC name is 3-chloro-2-[4-chloro-3-(4-methyl-1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[4-chloro-3-(4-methyl-1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine
PubChem CID19068754
Molecular FormulaC16H12Cl2F3NO2
Molecular Weight378.18 g/mol
Exact Mass377.02
IUPAC Name3-chloro-2-[4-chloro-3-(4-methyl-1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine
SMILESCC1COC(c2cc(-c3ncc(C(F)(F)F)cc3Cl)ccc2Cl)O1
InChIInChI=1S/C16H12Cl2F3NO2/c1-8-7-23-15(24-8)11-4-9(2-3-12(11)17)14-13(18)5-10(6-22-14)16(19,20)21/h2-6,8,15H,7H2,1H3
InChIKeyHGSLFVOJJAEMKM-UHFFFAOYSA-N
XLogP5.51
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.18
LogP ≤ 55.51
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-(4-methyl-1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[4-chloro-3-(4-methyl-1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine (CID 19068754) is 3-chloro-2-[4-chloro-3-(4-methyl-1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[4-chloro-3-(4-methyl-1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[4-chloro-3-(4-methyl-1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine is CC1COC(c2cc(-c3ncc(C(F)(F)F)cc3Cl)ccc2Cl)O1.
What is the InChIKey of 3-chloro-2-[4-chloro-3-(4-methyl-1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine?
The InChIKey is HGSLFVOJJAEMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F3NO2/c1-8-7-23-15(24-8)11-4-9(2-3-12(11)17)14-13(18)5-10(6-22-14)16(19,20)21/h2-6,8,15H,7H2,1H3.
What are the key properties of 3-chloro-2-[4-chloro-3-(4-methyl-1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine?
3-chloro-2-[4-chloro-3-(4-methyl-1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine has a molecular weight of 378.18 g/mol, XLogP of 5.51, 2 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-(4-methyl-1,3-dioxolan-2-yl)phenyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 19068754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).