3-chloro-6-(3,4-difluoro-2-methylphenoxy)-2-(trifluoromethyl)pyridine

C13H7ClF5NO — CID 175955629

IUPAC3-chloro-6-(3,4-difluoro-2-methylphenoxy)-2-(trifluoromethyl)pyridine
SMILESCc1c(Oc2ccc(Cl)c(C(F)(F)F)n2)ccc(F)c1F
InChIInChI=1S/C13H7ClF5NO/c1-6-9(4-3-8(15)11(6)16)21-10-5-2-7(14)12(20-10)13(17,18)19/h2-5H,1H3
InChIKeyXOASSIIOMXCUKV-UHFFFAOYSA-N
MW323.65 g/mol
LogP5.13
Rot. Bonds2

About 3-chloro-6-(3,4-difluoro-2-methylphenoxy)-2-(trifluoromethyl)pyridine

3-chloro-6-(3,4-difluoro-2-methylphenoxy)-2-(trifluoromethyl)pyridine (PubChem CID 175955629) has the molecular formula C13H7ClF5NO and a molecular weight of 323.65 g/mol. Its IUPAC name is 3-chloro-6-(3,4-difluoro-2-methylphenoxy)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-6-(3,4-difluoro-2-methylphenoxy)-2-(trifluoromethyl)pyridine
PubChem CID175955629
Molecular FormulaC13H7ClF5NO
Molecular Weight323.65 g/mol
Exact Mass323.01
IUPAC Name3-chloro-6-(3,4-difluoro-2-methylphenoxy)-2-(trifluoromethyl)pyridine
SMILESCc1c(Oc2ccc(Cl)c(C(F)(F)F)n2)ccc(F)c1F
InChIInChI=1S/C13H7ClF5NO/c1-6-9(4-3-8(15)11(6)16)21-10-5-2-7(14)12(20-10)13(17,18)19/h2-5H,1H3
InChIKeyXOASSIIOMXCUKV-UHFFFAOYSA-N
XLogP5.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.65
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3,4-difluoro-2-methylphenoxy)-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-6-(3,4-difluoro-2-methylphenoxy)-2-(trifluoromethyl)pyridine (CID 175955629) is 3-chloro-6-(3,4-difluoro-2-methylphenoxy)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-6-(3,4-difluoro-2-methylphenoxy)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-6-(3,4-difluoro-2-methylphenoxy)-2-(trifluoromethyl)pyridine is Cc1c(Oc2ccc(Cl)c(C(F)(F)F)n2)ccc(F)c1F.
What is the InChIKey of 3-chloro-6-(3,4-difluoro-2-methylphenoxy)-2-(trifluoromethyl)pyridine?
The InChIKey is XOASSIIOMXCUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF5NO/c1-6-9(4-3-8(15)11(6)16)21-10-5-2-7(14)12(20-10)13(17,18)19/h2-5H,1H3.
What are the key properties of 3-chloro-6-(3,4-difluoro-2-methylphenoxy)-2-(trifluoromethyl)pyridine?
3-chloro-6-(3,4-difluoro-2-methylphenoxy)-2-(trifluoromethyl)pyridine has a molecular weight of 323.65 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3,4-difluoro-2-methylphenoxy)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 175955629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).