3-chloro-2-(4-pyrrol-1-ylphenoxy)-5-(trifluoromethyl)pyridine

C16H10ClF3N2O — CID 5101805

IUPAC3-chloro-2-(4-pyrrol-1-ylphenoxy)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Oc2ccc(-n3cccc3)cc2)c(Cl)c1
InChIInChI=1S/C16H10ClF3N2O/c17-14-9-11(16(18,19)20)10-21-15(14)23-13-5-3-12(4-6-13)22-7-1-2-8-22/h1-10H
InChIKeyVQBGXFAEAVHYBY-UHFFFAOYSA-N
MW338.72 g/mol
LogP5.34
Rot. Bonds3

About 3-chloro-2-(4-pyrrol-1-ylphenoxy)-5-(trifluoromethyl)pyridine

3-chloro-2-(4-pyrrol-1-ylphenoxy)-5-(trifluoromethyl)pyridine (PubChem CID 5101805) has the molecular formula C16H10ClF3N2O and a molecular weight of 338.72 g/mol. Its IUPAC name is 3-chloro-2-(4-pyrrol-1-ylphenoxy)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(4-pyrrol-1-ylphenoxy)-5-(trifluoromethyl)pyridine
PubChem CID5101805
Molecular FormulaC16H10ClF3N2O
Molecular Weight338.72 g/mol
Exact Mass338.04
IUPAC Name3-chloro-2-(4-pyrrol-1-ylphenoxy)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Oc2ccc(-n3cccc3)cc2)c(Cl)c1
InChIInChI=1S/C16H10ClF3N2O/c17-14-9-11(16(18,19)20)10-21-15(14)23-13-5-3-12(4-6-13)22-7-1-2-8-22/h1-10H
InChIKeyVQBGXFAEAVHYBY-UHFFFAOYSA-N
XLogP5.34
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.72
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-pyrrol-1-ylphenoxy)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(4-pyrrol-1-ylphenoxy)-5-(trifluoromethyl)pyridine (CID 5101805) is 3-chloro-2-(4-pyrrol-1-ylphenoxy)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(4-pyrrol-1-ylphenoxy)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(4-pyrrol-1-ylphenoxy)-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(Oc2ccc(-n3cccc3)cc2)c(Cl)c1.
What is the InChIKey of 3-chloro-2-(4-pyrrol-1-ylphenoxy)-5-(trifluoromethyl)pyridine?
The InChIKey is VQBGXFAEAVHYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O/c17-14-9-11(16(18,19)20)10-21-15(14)23-13-5-3-12(4-6-13)22-7-1-2-8-22/h1-10H.
What are the key properties of 3-chloro-2-(4-pyrrol-1-ylphenoxy)-5-(trifluoromethyl)pyridine?
3-chloro-2-(4-pyrrol-1-ylphenoxy)-5-(trifluoromethyl)pyridine has a molecular weight of 338.72 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-pyrrol-1-ylphenoxy)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 5101805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).