3-chloro-2,5,6-trifluoro-4-(4-methoxyphenoxy)pyridine

C12H7ClF3NO2 — CID 872833

IUPAC3-chloro-2,5,6-trifluoro-4-(4-methoxyphenoxy)pyridine
SMILESCOc1ccc(Oc2c(F)c(F)nc(F)c2Cl)cc1
InChIInChI=1S/C12H7ClF3NO2/c1-18-6-2-4-7(5-3-6)19-10-8(13)11(15)17-12(16)9(10)14/h2-5H,1H3
InChIKeyIWXBTJCHZCLGRL-UHFFFAOYSA-N
MW289.64 g/mol
LogP3.95
Rot. Bonds3

About 3-chloro-2,5,6-trifluoro-4-(4-methoxyphenoxy)pyridine

3-chloro-2,5,6-trifluoro-4-(4-methoxyphenoxy)pyridine (PubChem CID 872833) has the molecular formula C12H7ClF3NO2 and a molecular weight of 289.64 g/mol. Its IUPAC name is 3-chloro-2,5,6-trifluoro-4-(4-methoxyphenoxy)pyridine.

Molecular Properties

Compound Name3-chloro-2,5,6-trifluoro-4-(4-methoxyphenoxy)pyridine
PubChem CID872833
Molecular FormulaC12H7ClF3NO2
Molecular Weight289.64 g/mol
Exact Mass289.01
IUPAC Name3-chloro-2,5,6-trifluoro-4-(4-methoxyphenoxy)pyridine
SMILESCOc1ccc(Oc2c(F)c(F)nc(F)c2Cl)cc1
InChIInChI=1S/C12H7ClF3NO2/c1-18-6-2-4-7(5-3-6)19-10-8(13)11(15)17-12(16)9(10)14/h2-5H,1H3
InChIKeyIWXBTJCHZCLGRL-UHFFFAOYSA-N
XLogP3.95
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.64
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,5,6-trifluoro-4-(4-methoxyphenoxy)pyridine?
The IUPAC name of 3-chloro-2,5,6-trifluoro-4-(4-methoxyphenoxy)pyridine (CID 872833) is 3-chloro-2,5,6-trifluoro-4-(4-methoxyphenoxy)pyridine.
What is the SMILES notation for 3-chloro-2,5,6-trifluoro-4-(4-methoxyphenoxy)pyridine?
The canonical SMILES for 3-chloro-2,5,6-trifluoro-4-(4-methoxyphenoxy)pyridine is COc1ccc(Oc2c(F)c(F)nc(F)c2Cl)cc1.
What is the InChIKey of 3-chloro-2,5,6-trifluoro-4-(4-methoxyphenoxy)pyridine?
The InChIKey is IWXBTJCHZCLGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NO2/c1-18-6-2-4-7(5-3-6)19-10-8(13)11(15)17-12(16)9(10)14/h2-5H,1H3.
What are the key properties of 3-chloro-2,5,6-trifluoro-4-(4-methoxyphenoxy)pyridine?
3-chloro-2,5,6-trifluoro-4-(4-methoxyphenoxy)pyridine has a molecular weight of 289.64 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,5,6-trifluoro-4-(4-methoxyphenoxy)pyridine is sourced from PubChem (CID 872833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).