5-[(2-chloro-6-fluoro-3-methylphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine

C24H25ClFNO2 — CID 66994440

IUPAC5-[(2-chloro-6-fluoro-3-methylphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine
SMILESCCc1cccc(CC)c1-c1cc(OC)c(COc2c(F)ccc(C)c2Cl)cn1
InChIInChI=1S/C24H25ClFNO2/c1-5-16-8-7-9-17(6-2)22(16)20-12-21(28-4)18(13-27-20)14-29-24-19(26)11-10-15(3)23(24)25/h7-13H,5-6,14H2,1-4H3
InChIKeyYJSTZVLEMDHKPR-UHFFFAOYSA-N
MW413.92 g/mol
LogP6.56
Rot. Bonds7

About 5-[(2-chloro-6-fluoro-3-methylphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine

5-[(2-chloro-6-fluoro-3-methylphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine (PubChem CID 66994440) has the molecular formula C24H25ClFNO2 and a molecular weight of 413.92 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluoro-3-methylphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine.

Molecular Properties

Compound Name5-[(2-chloro-6-fluoro-3-methylphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine
PubChem CID66994440
Molecular FormulaC24H25ClFNO2
Molecular Weight413.92 g/mol
Exact Mass413.16
IUPAC Name5-[(2-chloro-6-fluoro-3-methylphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine
SMILESCCc1cccc(CC)c1-c1cc(OC)c(COc2c(F)ccc(C)c2Cl)cn1
InChIInChI=1S/C24H25ClFNO2/c1-5-16-8-7-9-17(6-2)22(16)20-12-21(28-4)18(13-27-20)14-29-24-19(26)11-10-15(3)23(24)25/h7-13H,5-6,14H2,1-4H3
InChIKeyYJSTZVLEMDHKPR-UHFFFAOYSA-N
XLogP6.56
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.92
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluoro-3-methylphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine?
The IUPAC name of 5-[(2-chloro-6-fluoro-3-methylphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine (CID 66994440) is 5-[(2-chloro-6-fluoro-3-methylphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine.
What is the SMILES notation for 5-[(2-chloro-6-fluoro-3-methylphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine?
The canonical SMILES for 5-[(2-chloro-6-fluoro-3-methylphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine is CCc1cccc(CC)c1-c1cc(OC)c(COc2c(F)ccc(C)c2Cl)cn1.
What is the InChIKey of 5-[(2-chloro-6-fluoro-3-methylphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine?
The InChIKey is YJSTZVLEMDHKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFNO2/c1-5-16-8-7-9-17(6-2)22(16)20-12-21(28-4)18(13-27-20)14-29-24-19(26)11-10-15(3)23(24)25/h7-13H,5-6,14H2,1-4H3.
What are the key properties of 5-[(2-chloro-6-fluoro-3-methylphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine?
5-[(2-chloro-6-fluoro-3-methylphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine has a molecular weight of 413.92 g/mol, XLogP of 6.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluoro-3-methylphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine is sourced from PubChem (CID 66994440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).