3-chloro-2-[(3,5-dichlorophenoxy)methyl]-5-(trifluoromethyl)pyridine

C13H7Cl3F3NO — CID 2745744

IUPAC3-chloro-2-[(3,5-dichlorophenoxy)methyl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(COc2cc(Cl)cc(Cl)c2)c(Cl)c1
InChIInChI=1S/C13H7Cl3F3NO/c14-8-2-9(15)4-10(3-8)21-6-12-11(16)1-7(5-20-12)13(17,18)19/h1-5H,6H2
InChIKeyDKPWEVSZPJKDAL-UHFFFAOYSA-N
MW356.56 g/mol
LogP5.64
Rot. Bonds3

About 3-chloro-2-[(3,5-dichlorophenoxy)methyl]-5-(trifluoromethyl)pyridine

3-chloro-2-[(3,5-dichlorophenoxy)methyl]-5-(trifluoromethyl)pyridine (PubChem CID 2745744) has the molecular formula C13H7Cl3F3NO and a molecular weight of 356.56 g/mol. Its IUPAC name is 3-chloro-2-[(3,5-dichlorophenoxy)methyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[(3,5-dichlorophenoxy)methyl]-5-(trifluoromethyl)pyridine
PubChem CID2745744
Molecular FormulaC13H7Cl3F3NO
Molecular Weight356.56 g/mol
Exact Mass354.95
IUPAC Name3-chloro-2-[(3,5-dichlorophenoxy)methyl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(COc2cc(Cl)cc(Cl)c2)c(Cl)c1
InChIInChI=1S/C13H7Cl3F3NO/c14-8-2-9(15)4-10(3-8)21-6-12-11(16)1-7(5-20-12)13(17,18)19/h1-5H,6H2
InChIKeyDKPWEVSZPJKDAL-UHFFFAOYSA-N
XLogP5.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.56
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(3,5-dichlorophenoxy)methyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[(3,5-dichlorophenoxy)methyl]-5-(trifluoromethyl)pyridine (CID 2745744) is 3-chloro-2-[(3,5-dichlorophenoxy)methyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[(3,5-dichlorophenoxy)methyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[(3,5-dichlorophenoxy)methyl]-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(COc2cc(Cl)cc(Cl)c2)c(Cl)c1.
What is the InChIKey of 3-chloro-2-[(3,5-dichlorophenoxy)methyl]-5-(trifluoromethyl)pyridine?
The InChIKey is DKPWEVSZPJKDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3F3NO/c14-8-2-9(15)4-10(3-8)21-6-12-11(16)1-7(5-20-12)13(17,18)19/h1-5H,6H2.
What are the key properties of 3-chloro-2-[(3,5-dichlorophenoxy)methyl]-5-(trifluoromethyl)pyridine?
3-chloro-2-[(3,5-dichlorophenoxy)methyl]-5-(trifluoromethyl)pyridine has a molecular weight of 356.56 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(3,5-dichlorophenoxy)methyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 2745744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).