3-chloro-2-(3-methylphenoxy)-5-(trifluoromethyl)pyridine

C13H9ClF3NO — CID 22952948

IUPAC3-chloro-2-(3-methylphenoxy)-5-(trifluoromethyl)pyridine
SMILESCc1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C13H9ClF3NO/c1-8-3-2-4-10(5-8)19-12-11(14)6-9(7-18-12)13(15,16)17/h2-7H,1H3
InChIKeyDBUAZGWOALDAGR-UHFFFAOYSA-N
MW287.67 g/mol
LogP4.85
Rot. Bonds2

About 3-chloro-2-(3-methylphenoxy)-5-(trifluoromethyl)pyridine

3-chloro-2-(3-methylphenoxy)-5-(trifluoromethyl)pyridine (PubChem CID 22952948) has the molecular formula C13H9ClF3NO and a molecular weight of 287.67 g/mol. Its IUPAC name is 3-chloro-2-(3-methylphenoxy)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(3-methylphenoxy)-5-(trifluoromethyl)pyridine
PubChem CID22952948
Molecular FormulaC13H9ClF3NO
Molecular Weight287.67 g/mol
Exact Mass287.03
IUPAC Name3-chloro-2-(3-methylphenoxy)-5-(trifluoromethyl)pyridine
SMILESCc1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C13H9ClF3NO/c1-8-3-2-4-10(5-8)19-12-11(14)6-9(7-18-12)13(15,16)17/h2-7H,1H3
InChIKeyDBUAZGWOALDAGR-UHFFFAOYSA-N
XLogP4.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.67
LogP ≤ 54.85
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-methylphenoxy)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(3-methylphenoxy)-5-(trifluoromethyl)pyridine (CID 22952948) is 3-chloro-2-(3-methylphenoxy)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(3-methylphenoxy)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(3-methylphenoxy)-5-(trifluoromethyl)pyridine is Cc1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 3-chloro-2-(3-methylphenoxy)-5-(trifluoromethyl)pyridine?
The InChIKey is DBUAZGWOALDAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO/c1-8-3-2-4-10(5-8)19-12-11(14)6-9(7-18-12)13(15,16)17/h2-7H,1H3.
What are the key properties of 3-chloro-2-(3-methylphenoxy)-5-(trifluoromethyl)pyridine?
3-chloro-2-(3-methylphenoxy)-5-(trifluoromethyl)pyridine has a molecular weight of 287.67 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3-methylphenoxy)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 22952948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).