2-[2-chloro-3-(trifluoromethyl)phenoxy]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine

C17H14ClF3N2O — CID 143825084

IUPAC2-[2-chloro-3-(trifluoromethyl)phenoxy]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine
SMILESFC(F)(F)c1cccc(Oc2ncccc2C2=CCNCC2)c1Cl
InChIInChI=1S/C17H14ClF3N2O/c18-15-13(17(19,20)21)4-1-5-14(15)24-16-12(3-2-8-23-16)11-6-9-22-10-7-11/h1-6,8,22H,7,9-10H2
InChIKeyRGTPSOICKLNGJP-UHFFFAOYSA-N
MW354.76 g/mol
LogP4.92
Rot. Bonds3

About 2-[2-chloro-3-(trifluoromethyl)phenoxy]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine

2-[2-chloro-3-(trifluoromethyl)phenoxy]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine (PubChem CID 143825084) has the molecular formula C17H14ClF3N2O and a molecular weight of 354.76 g/mol. Its IUPAC name is 2-[2-chloro-3-(trifluoromethyl)phenoxy]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine.

Molecular Properties

Compound Name2-[2-chloro-3-(trifluoromethyl)phenoxy]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine
PubChem CID143825084
Molecular FormulaC17H14ClF3N2O
Molecular Weight354.76 g/mol
Exact Mass354.07
IUPAC Name2-[2-chloro-3-(trifluoromethyl)phenoxy]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine
SMILESFC(F)(F)c1cccc(Oc2ncccc2C2=CCNCC2)c1Cl
InChIInChI=1S/C17H14ClF3N2O/c18-15-13(17(19,20)21)4-1-5-14(15)24-16-12(3-2-8-23-16)11-6-9-22-10-7-11/h1-6,8,22H,7,9-10H2
InChIKeyRGTPSOICKLNGJP-UHFFFAOYSA-N
XLogP4.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.76
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-3-(trifluoromethyl)phenoxy]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine?
The IUPAC name of 2-[2-chloro-3-(trifluoromethyl)phenoxy]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine (CID 143825084) is 2-[2-chloro-3-(trifluoromethyl)phenoxy]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine.
What is the SMILES notation for 2-[2-chloro-3-(trifluoromethyl)phenoxy]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine?
The canonical SMILES for 2-[2-chloro-3-(trifluoromethyl)phenoxy]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine is FC(F)(F)c1cccc(Oc2ncccc2C2=CCNCC2)c1Cl.
What is the InChIKey of 2-[2-chloro-3-(trifluoromethyl)phenoxy]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine?
The InChIKey is RGTPSOICKLNGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O/c18-15-13(17(19,20)21)4-1-5-14(15)24-16-12(3-2-8-23-16)11-6-9-22-10-7-11/h1-6,8,22H,7,9-10H2.
What are the key properties of 2-[2-chloro-3-(trifluoromethyl)phenoxy]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine?
2-[2-chloro-3-(trifluoromethyl)phenoxy]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine has a molecular weight of 354.76 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-3-(trifluoromethyl)phenoxy]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine is sourced from PubChem (CID 143825084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).