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

C17H9ClF3NO — CID 949956

IUPAC3-chloro-2,5,6-trifluoro-4-(4-phenylphenoxy)pyridine
SMILESFc1nc(F)c(Cl)c(Oc2ccc(-c3ccccc3)cc2)c1F
InChIInChI=1S/C17H9ClF3NO/c18-13-15(14(19)17(21)22-16(13)20)23-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKeyOLBRSDVGMGRBNP-UHFFFAOYSA-N
MW335.71 g/mol
LogP5.61
Rot. Bonds3

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

3-chloro-2,5,6-trifluoro-4-(4-phenylphenoxy)pyridine (PubChem CID 949956) has the molecular formula C17H9ClF3NO and a molecular weight of 335.71 g/mol. Its IUPAC name is 3-chloro-2,5,6-trifluoro-4-(4-phenylphenoxy)pyridine.

Molecular Properties

Compound Name3-chloro-2,5,6-trifluoro-4-(4-phenylphenoxy)pyridine
PubChem CID949956
Molecular FormulaC17H9ClF3NO
Molecular Weight335.71 g/mol
Exact Mass335.03
IUPAC Name3-chloro-2,5,6-trifluoro-4-(4-phenylphenoxy)pyridine
SMILESFc1nc(F)c(Cl)c(Oc2ccc(-c3ccccc3)cc2)c1F
InChIInChI=1S/C17H9ClF3NO/c18-13-15(14(19)17(21)22-16(13)20)23-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKeyOLBRSDVGMGRBNP-UHFFFAOYSA-N
XLogP5.61
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.71
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-phenylphenoxy)pyridine?
The IUPAC name of 3-chloro-2,5,6-trifluoro-4-(4-phenylphenoxy)pyridine (CID 949956) is 3-chloro-2,5,6-trifluoro-4-(4-phenylphenoxy)pyridine.
What is the SMILES notation for 3-chloro-2,5,6-trifluoro-4-(4-phenylphenoxy)pyridine?
The canonical SMILES for 3-chloro-2,5,6-trifluoro-4-(4-phenylphenoxy)pyridine is Fc1nc(F)c(Cl)c(Oc2ccc(-c3ccccc3)cc2)c1F.
What is the InChIKey of 3-chloro-2,5,6-trifluoro-4-(4-phenylphenoxy)pyridine?
The InChIKey is OLBRSDVGMGRBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF3NO/c18-13-15(14(19)17(21)22-16(13)20)23-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 3-chloro-2,5,6-trifluoro-4-(4-phenylphenoxy)pyridine?
3-chloro-2,5,6-trifluoro-4-(4-phenylphenoxy)pyridine has a molecular weight of 335.71 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,5,6-trifluoro-4-(4-phenylphenoxy)pyridine is sourced from PubChem (CID 949956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).