2,4-bis(3-fluoro-4-methoxyphenyl)-6-methylpyridine

C20H17F2NO2 — CID 740842

IUPAC2,4-bis(3-fluoro-4-methoxyphenyl)-6-methylpyridine
SMILESCOc1ccc(-c2cc(C)nc(-c3ccc(OC)c(F)c3)c2)cc1F
InChIInChI=1S/C20H17F2NO2/c1-12-8-15(13-4-6-19(24-2)16(21)9-13)11-18(23-12)14-5-7-20(25-3)17(22)10-14/h4-11H,1-3H3
InChIKeyYVQDKKPSEQCCDP-UHFFFAOYSA-N
MW341.36 g/mol
LogP5.02
Rot. Bonds4

About 2,4-bis(3-fluoro-4-methoxyphenyl)-6-methylpyridine

2,4-bis(3-fluoro-4-methoxyphenyl)-6-methylpyridine (PubChem CID 740842) has the molecular formula C20H17F2NO2 and a molecular weight of 341.36 g/mol. Its IUPAC name is 2,4-bis(3-fluoro-4-methoxyphenyl)-6-methylpyridine.

Molecular Properties

Compound Name2,4-bis(3-fluoro-4-methoxyphenyl)-6-methylpyridine
PubChem CID740842
Molecular FormulaC20H17F2NO2
Molecular Weight341.36 g/mol
Exact Mass341.12
IUPAC Name2,4-bis(3-fluoro-4-methoxyphenyl)-6-methylpyridine
SMILESCOc1ccc(-c2cc(C)nc(-c3ccc(OC)c(F)c3)c2)cc1F
InChIInChI=1S/C20H17F2NO2/c1-12-8-15(13-4-6-19(24-2)16(21)9-13)11-18(23-12)14-5-7-20(25-3)17(22)10-14/h4-11H,1-3H3
InChIKeyYVQDKKPSEQCCDP-UHFFFAOYSA-N
XLogP5.02
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.36
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-fluoro-4-methoxyphenyl)-6-methylpyridine?
The IUPAC name of 2,4-bis(3-fluoro-4-methoxyphenyl)-6-methylpyridine (CID 740842) is 2,4-bis(3-fluoro-4-methoxyphenyl)-6-methylpyridine.
What is the SMILES notation for 2,4-bis(3-fluoro-4-methoxyphenyl)-6-methylpyridine?
The canonical SMILES for 2,4-bis(3-fluoro-4-methoxyphenyl)-6-methylpyridine is COc1ccc(-c2cc(C)nc(-c3ccc(OC)c(F)c3)c2)cc1F.
What is the InChIKey of 2,4-bis(3-fluoro-4-methoxyphenyl)-6-methylpyridine?
The InChIKey is YVQDKKPSEQCCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO2/c1-12-8-15(13-4-6-19(24-2)16(21)9-13)11-18(23-12)14-5-7-20(25-3)17(22)10-14/h4-11H,1-3H3.
What are the key properties of 2,4-bis(3-fluoro-4-methoxyphenyl)-6-methylpyridine?
2,4-bis(3-fluoro-4-methoxyphenyl)-6-methylpyridine has a molecular weight of 341.36 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-fluoro-4-methoxyphenyl)-6-methylpyridine is sourced from PubChem (CID 740842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).