3-chloro-2-[2-chloro-4-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine

C16H8Cl2F3NO2 — CID 168527041

IUPAC3-chloro-2-[2-chloro-4-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Oc2ccc(-c3ccco3)cc2Cl)c(Cl)c1
InChIInChI=1S/C16H8Cl2F3NO2/c17-11-6-9(13-2-1-5-23-13)3-4-14(11)24-15-12(18)7-10(8-22-15)16(19,20)21/h1-8H
InChIKeyPFFKVNKPJUPBJH-UHFFFAOYSA-N
MW374.15 g/mol
LogP6.46
Rot. Bonds3

About 3-chloro-2-[2-chloro-4-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine

3-chloro-2-[2-chloro-4-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine (PubChem CID 168527041) has the molecular formula C16H8Cl2F3NO2 and a molecular weight of 374.15 g/mol. Its IUPAC name is 3-chloro-2-[2-chloro-4-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[2-chloro-4-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine
PubChem CID168527041
Molecular FormulaC16H8Cl2F3NO2
Molecular Weight374.15 g/mol
Exact Mass372.99
IUPAC Name3-chloro-2-[2-chloro-4-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Oc2ccc(-c3ccco3)cc2Cl)c(Cl)c1
InChIInChI=1S/C16H8Cl2F3NO2/c17-11-6-9(13-2-1-5-23-13)3-4-14(11)24-15-12(18)7-10(8-22-15)16(19,20)21/h1-8H
InChIKeyPFFKVNKPJUPBJH-UHFFFAOYSA-N
XLogP6.46
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.15
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[2-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine
CID 168524801
2-[2-chloro-4-(furan-2-yl)phenoxy]-6-(trifluoromethyl)pyridine
CID 168525596
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluoroaniline
CID 76851699
3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine
CID 63529961
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
3-chloro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 175669606
2-[4-methoxy-3-(trifluoromethoxy)phenyl]furan
CID 168525465
2-[4-(2,4-dichlorophenoxy)phenyl]furan
CID 168526554
N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carboxamide
CID 2526970
3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(furan-2-ylmethoxy)phenyl]propan-1-ol
CID 68552262

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-chloro-4-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[2-chloro-4-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine (CID 168527041) is 3-chloro-2-[2-chloro-4-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[2-chloro-4-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[2-chloro-4-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(Oc2ccc(-c3ccco3)cc2Cl)c(Cl)c1.
What is the InChIKey of 3-chloro-2-[2-chloro-4-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine?
The InChIKey is PFFKVNKPJUPBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2F3NO2/c17-11-6-9(13-2-1-5-23-13)3-4-14(11)24-15-12(18)7-10(8-22-15)16(19,20)21/h1-8H.
What are the key properties of 3-chloro-2-[2-chloro-4-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine?
3-chloro-2-[2-chloro-4-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine has a molecular weight of 374.15 g/mol, XLogP of 6.46, 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-chloro-4-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 168527041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).