2-[1-(4-chloro-2-fluorophenyl)ethoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine

C18H18ClFN2O — CID 166782270

IUPAC2-[1-(4-chloro-2-fluorophenyl)ethoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine
SMILESCC(Oc1cccc(C2=CCNCC2)n1)c1ccc(Cl)cc1F
InChIInChI=1S/C18H18ClFN2O/c1-12(15-6-5-14(19)11-16(15)20)23-18-4-2-3-17(22-18)13-7-9-21-10-8-13/h2-7,11-12,21H,8-10H2,1H3
InChIKeyBGAXIJDOOFOARP-UHFFFAOYSA-N
MW332.81 g/mol
LogP4.39
Rot. Bonds4

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

2-[1-(4-chloro-2-fluorophenyl)ethoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine (PubChem CID 166782270) has the molecular formula C18H18ClFN2O and a molecular weight of 332.81 g/mol. Its IUPAC name is 2-[1-(4-chloro-2-fluorophenyl)ethoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine.

Molecular Properties

Compound Name2-[1-(4-chloro-2-fluorophenyl)ethoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine
PubChem CID166782270
Molecular FormulaC18H18ClFN2O
Molecular Weight332.81 g/mol
Exact Mass332.11
IUPAC Name2-[1-(4-chloro-2-fluorophenyl)ethoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine
SMILESCC(Oc1cccc(C2=CCNCC2)n1)c1ccc(Cl)cc1F
InChIInChI=1S/C18H18ClFN2O/c1-12(15-6-5-14(19)11-16(15)20)23-18-4-2-3-17(22-18)13-7-9-21-10-8-13/h2-7,11-12,21H,8-10H2,1H3
InChIKeyBGAXIJDOOFOARP-UHFFFAOYSA-N
XLogP4.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-2-fluorophenyl)ethoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine?
The IUPAC name of 2-[1-(4-chloro-2-fluorophenyl)ethoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine (CID 166782270) is 2-[1-(4-chloro-2-fluorophenyl)ethoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine.
What is the SMILES notation for 2-[1-(4-chloro-2-fluorophenyl)ethoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine?
The canonical SMILES for 2-[1-(4-chloro-2-fluorophenyl)ethoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine is CC(Oc1cccc(C2=CCNCC2)n1)c1ccc(Cl)cc1F.
What is the InChIKey of 2-[1-(4-chloro-2-fluorophenyl)ethoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine?
The InChIKey is BGAXIJDOOFOARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O/c1-12(15-6-5-14(19)11-16(15)20)23-18-4-2-3-17(22-18)13-7-9-21-10-8-13/h2-7,11-12,21H,8-10H2,1H3.
What are the key properties of 2-[1-(4-chloro-2-fluorophenyl)ethoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine?
2-[1-(4-chloro-2-fluorophenyl)ethoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine has a molecular weight of 332.81 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-2-fluorophenyl)ethoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine is sourced from PubChem (CID 166782270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).