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

C16H8ClF4NOS — CID 150360287

IUPAC5-chloro-3-fluoro-2-[2-[4-(trifluoromethyl)thiophen-2-yl]phenoxy]pyridine
SMILESFc1cc(Cl)cnc1Oc1ccccc1-c1cc(C(F)(F)F)cs1
InChIInChI=1S/C16H8ClF4NOS/c17-10-6-12(18)15(22-7-10)23-13-4-2-1-3-11(13)14-5-9(8-24-14)16(19,20)21/h1-8H
InChIKeyGVONHMHSNQMSNA-UHFFFAOYSA-N
MW373.76 g/mol
LogP6.41
Rot. Bonds3

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

5-chloro-3-fluoro-2-[2-[4-(trifluoromethyl)thiophen-2-yl]phenoxy]pyridine (PubChem CID 150360287) has the molecular formula C16H8ClF4NOS and a molecular weight of 373.76 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-[2-[4-(trifluoromethyl)thiophen-2-yl]phenoxy]pyridine.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-[2-[4-(trifluoromethyl)thiophen-2-yl]phenoxy]pyridine
PubChem CID150360287
Molecular FormulaC16H8ClF4NOS
Molecular Weight373.76 g/mol
Exact Mass373.00
IUPAC Name5-chloro-3-fluoro-2-[2-[4-(trifluoromethyl)thiophen-2-yl]phenoxy]pyridine
SMILESFc1cc(Cl)cnc1Oc1ccccc1-c1cc(C(F)(F)F)cs1
InChIInChI=1S/C16H8ClF4NOS/c17-10-6-12(18)15(22-7-10)23-13-4-2-1-3-11(13)14-5-9(8-24-14)16(19,20)21/h1-8H
InChIKeyGVONHMHSNQMSNA-UHFFFAOYSA-N
XLogP6.41
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.76
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2-[2-[4-(trifluoromethyl)thiophen-2-yl]phenoxy]pyridine?
The IUPAC name of 5-chloro-3-fluoro-2-[2-[4-(trifluoromethyl)thiophen-2-yl]phenoxy]pyridine (CID 150360287) is 5-chloro-3-fluoro-2-[2-[4-(trifluoromethyl)thiophen-2-yl]phenoxy]pyridine.
What is the SMILES notation for 5-chloro-3-fluoro-2-[2-[4-(trifluoromethyl)thiophen-2-yl]phenoxy]pyridine?
The canonical SMILES for 5-chloro-3-fluoro-2-[2-[4-(trifluoromethyl)thiophen-2-yl]phenoxy]pyridine is Fc1cc(Cl)cnc1Oc1ccccc1-c1cc(C(F)(F)F)cs1.
What is the InChIKey of 5-chloro-3-fluoro-2-[2-[4-(trifluoromethyl)thiophen-2-yl]phenoxy]pyridine?
The InChIKey is GVONHMHSNQMSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClF4NOS/c17-10-6-12(18)15(22-7-10)23-13-4-2-1-3-11(13)14-5-9(8-24-14)16(19,20)21/h1-8H.
What are the key properties of 5-chloro-3-fluoro-2-[2-[4-(trifluoromethyl)thiophen-2-yl]phenoxy]pyridine?
5-chloro-3-fluoro-2-[2-[4-(trifluoromethyl)thiophen-2-yl]phenoxy]pyridine has a molecular weight of 373.76 g/mol, XLogP of 6.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-[2-[4-(trifluoromethyl)thiophen-2-yl]phenoxy]pyridine is sourced from PubChem (CID 150360287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).