2,3,6-trifluoro-4-(2,4,6-trimethoxyphenyl)pyridine

C14H12F3NO3 — CID 170781616

IUPAC2,3,6-trifluoro-4-(2,4,6-trimethoxyphenyl)pyridine
SMILESCOc1cc(OC)c(-c2cc(F)nc(F)c2F)c(OC)c1
InChIInChI=1S/C14H12F3NO3/c1-19-7-4-9(20-2)12(10(5-7)21-3)8-6-11(15)18-14(17)13(8)16/h4-6H,1-3H3
InChIKeyIVFYFJMNERTLEG-UHFFFAOYSA-N
MW299.25 g/mol
LogP3.19
Rot. Bonds4

About 2,3,6-trifluoro-4-(2,4,6-trimethoxyphenyl)pyridine

2,3,6-trifluoro-4-(2,4,6-trimethoxyphenyl)pyridine (PubChem CID 170781616) has the molecular formula C14H12F3NO3 and a molecular weight of 299.25 g/mol. Its IUPAC name is 2,3,6-trifluoro-4-(2,4,6-trimethoxyphenyl)pyridine.

Molecular Properties

Compound Name2,3,6-trifluoro-4-(2,4,6-trimethoxyphenyl)pyridine
PubChem CID170781616
Molecular FormulaC14H12F3NO3
Molecular Weight299.25 g/mol
Exact Mass299.08
IUPAC Name2,3,6-trifluoro-4-(2,4,6-trimethoxyphenyl)pyridine
SMILESCOc1cc(OC)c(-c2cc(F)nc(F)c2F)c(OC)c1
InChIInChI=1S/C14H12F3NO3/c1-19-7-4-9(20-2)12(10(5-7)21-3)8-6-11(15)18-14(17)13(8)16/h4-6H,1-3H3
InChIKeyIVFYFJMNERTLEG-UHFFFAOYSA-N
XLogP3.19
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2,3,6-trifluoro-4-(2,4,6-trimethoxyphenyl)pyridine?
The IUPAC name of 2,3,6-trifluoro-4-(2,4,6-trimethoxyphenyl)pyridine (CID 170781616) is 2,3,6-trifluoro-4-(2,4,6-trimethoxyphenyl)pyridine.
What is the SMILES notation for 2,3,6-trifluoro-4-(2,4,6-trimethoxyphenyl)pyridine?
The canonical SMILES for 2,3,6-trifluoro-4-(2,4,6-trimethoxyphenyl)pyridine is COc1cc(OC)c(-c2cc(F)nc(F)c2F)c(OC)c1.
What is the InChIKey of 2,3,6-trifluoro-4-(2,4,6-trimethoxyphenyl)pyridine?
The InChIKey is IVFYFJMNERTLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO3/c1-19-7-4-9(20-2)12(10(5-7)21-3)8-6-11(15)18-14(17)13(8)16/h4-6H,1-3H3.
What are the key properties of 2,3,6-trifluoro-4-(2,4,6-trimethoxyphenyl)pyridine?
2,3,6-trifluoro-4-(2,4,6-trimethoxyphenyl)pyridine has a molecular weight of 299.25 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trifluoro-4-(2,4,6-trimethoxyphenyl)pyridine is sourced from PubChem (CID 170781616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).