3-chloro-2-[2-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine

C16H9ClF3NO2 — CID 168524801

IUPAC3-chloro-2-[2-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Oc2ccccc2-c2ccco2)c(Cl)c1
InChIInChI=1S/C16H9ClF3NO2/c17-12-8-10(16(18,19)20)9-21-15(12)23-14-5-2-1-4-11(14)13-6-3-7-22-13/h1-9H
InChIKeyHGAHYCJMWJPJQT-UHFFFAOYSA-N
MW339.70 g/mol
LogP5.81
Rot. Bonds3

About 3-chloro-2-[2-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine

3-chloro-2-[2-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine (PubChem CID 168524801) has the molecular formula C16H9ClF3NO2 and a molecular weight of 339.70 g/mol. Its IUPAC name is 3-chloro-2-[2-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[2-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine
PubChem CID168524801
Molecular FormulaC16H9ClF3NO2
Molecular Weight339.70 g/mol
Exact Mass339.03
IUPAC Name3-chloro-2-[2-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Oc2ccccc2-c2ccco2)c(Cl)c1
InChIInChI=1S/C16H9ClF3NO2/c17-12-8-10(16(18,19)20)9-21-15(12)23-14-5-2-1-4-11(14)13-6-3-7-22-13/h1-9H
InChIKeyHGAHYCJMWJPJQT-UHFFFAOYSA-N
XLogP5.81
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.70
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[2-chloro-4-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine
CID 168527041
3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine
CID 63529961
2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]isoindole-1,3-dione
CID 168516283
2-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]furan
CID 168524965
2-methoxy-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 134620611
2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1-(diaminomethylidene)guanidine
CID 168601907
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan
CID 90729865
3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen
CID 161307255
3-chloro-2-(4-methyl-2-nitrophenoxy)-5-(trifluoromethyl)pyridine
CID 24507947
2-[2-(4-chloro-3,5-dimethylphenoxy)-5-(trifluoromethyl)phenyl]furan
CID 168524769
3-chloro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 175669606
N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carboxamide
CID 2526970

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[2-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine (CID 168524801) is 3-chloro-2-[2-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[2-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[2-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(Oc2ccccc2-c2ccco2)c(Cl)c1.
What is the InChIKey of 3-chloro-2-[2-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine?
The InChIKey is HGAHYCJMWJPJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3NO2/c17-12-8-10(16(18,19)20)9-21-15(12)23-14-5-2-1-4-11(14)13-6-3-7-22-13/h1-9H.
What are the key properties of 3-chloro-2-[2-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine?
3-chloro-2-[2-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine has a molecular weight of 339.70 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 168524801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).