3-(3-chlorophenyl)-5-[1-(4-fluorophenyl)ethyl]-2-methoxypyridine

C20H17ClFNO — CID 135217110

IUPAC3-(3-chlorophenyl)-5-[1-(4-fluorophenyl)ethyl]-2-methoxypyridine
SMILESCOc1ncc(C(C)c2ccc(F)cc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C20H17ClFNO/c1-13(14-6-8-18(22)9-7-14)16-11-19(20(24-2)23-12-16)15-4-3-5-17(21)10-15/h3-13H,1-2H3
InChIKeyMYYRAFLKJWFFQI-UHFFFAOYSA-N
MW341.81 g/mol
LogP5.70
Rot. Bonds4

About 3-(3-chlorophenyl)-5-[1-(4-fluorophenyl)ethyl]-2-methoxypyridine

3-(3-chlorophenyl)-5-[1-(4-fluorophenyl)ethyl]-2-methoxypyridine (PubChem CID 135217110) has the molecular formula C20H17ClFNO and a molecular weight of 341.81 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-[1-(4-fluorophenyl)ethyl]-2-methoxypyridine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-[1-(4-fluorophenyl)ethyl]-2-methoxypyridine
PubChem CID135217110
Molecular FormulaC20H17ClFNO
Molecular Weight341.81 g/mol
Exact Mass341.10
IUPAC Name3-(3-chlorophenyl)-5-[1-(4-fluorophenyl)ethyl]-2-methoxypyridine
SMILESCOc1ncc(C(C)c2ccc(F)cc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C20H17ClFNO/c1-13(14-6-8-18(22)9-7-14)16-11-19(20(24-2)23-12-16)15-4-3-5-17(21)10-15/h3-13H,1-2H3
InChIKeyMYYRAFLKJWFFQI-UHFFFAOYSA-N
XLogP5.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.81
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-[1-(4-fluorophenyl)ethyl]-2-methoxypyridine?
The IUPAC name of 3-(3-chlorophenyl)-5-[1-(4-fluorophenyl)ethyl]-2-methoxypyridine (CID 135217110) is 3-(3-chlorophenyl)-5-[1-(4-fluorophenyl)ethyl]-2-methoxypyridine.
What is the SMILES notation for 3-(3-chlorophenyl)-5-[1-(4-fluorophenyl)ethyl]-2-methoxypyridine?
The canonical SMILES for 3-(3-chlorophenyl)-5-[1-(4-fluorophenyl)ethyl]-2-methoxypyridine is COc1ncc(C(C)c2ccc(F)cc2)cc1-c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-5-[1-(4-fluorophenyl)ethyl]-2-methoxypyridine?
The InChIKey is MYYRAFLKJWFFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFNO/c1-13(14-6-8-18(22)9-7-14)16-11-19(20(24-2)23-12-16)15-4-3-5-17(21)10-15/h3-13H,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-5-[1-(4-fluorophenyl)ethyl]-2-methoxypyridine?
3-(3-chlorophenyl)-5-[1-(4-fluorophenyl)ethyl]-2-methoxypyridine has a molecular weight of 341.81 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-[1-(4-fluorophenyl)ethyl]-2-methoxypyridine is sourced from PubChem (CID 135217110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).