5-[(4-chloro-2-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine

C23H23ClFNO2 — CID 66994574

IUPAC5-[(4-chloro-2-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine
SMILESCCc1cccc(CC)c1-c1cc(OC)c(COc2ccc(Cl)cc2F)cn1
InChIInChI=1S/C23H23ClFNO2/c1-4-15-7-6-8-16(5-2)23(15)20-12-22(27-3)17(13-26-20)14-28-21-10-9-18(24)11-19(21)25/h6-13H,4-5,14H2,1-3H3
InChIKeyCERWQGYGIDLBRT-UHFFFAOYSA-N
MW399.89 g/mol
LogP6.25
Rot. Bonds7

About 5-[(4-chloro-2-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine

5-[(4-chloro-2-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine (PubChem CID 66994574) has the molecular formula C23H23ClFNO2 and a molecular weight of 399.89 g/mol. Its IUPAC name is 5-[(4-chloro-2-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine.

Molecular Properties

Compound Name5-[(4-chloro-2-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine
PubChem CID66994574
Molecular FormulaC23H23ClFNO2
Molecular Weight399.89 g/mol
Exact Mass399.14
IUPAC Name5-[(4-chloro-2-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine
SMILESCCc1cccc(CC)c1-c1cc(OC)c(COc2ccc(Cl)cc2F)cn1
InChIInChI=1S/C23H23ClFNO2/c1-4-15-7-6-8-16(5-2)23(15)20-12-22(27-3)17(13-26-20)14-28-21-10-9-18(24)11-19(21)25/h6-13H,4-5,14H2,1-3H3
InChIKeyCERWQGYGIDLBRT-UHFFFAOYSA-N
XLogP6.25
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.89
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine
CID 66994791
1-(4-chlorophenyl)-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]-N-methylmethanamine
CID 66993974
2-(2,6-diethylphenyl)-4-methoxy-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)pyridine
CID 66995241
[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]-phenylmethanol
CID 59678346
1-[(2-bromophenyl)methoxy]-4-chloro-2-fluorobenzene
CID 146004192
methyl 4-chloro-6-(2,6-diethylphenyl)pyridine-3-carboxylate
CID 59678159
6-(2,6-diethylphenyl)-3-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]-4-methoxy-2-methylpyridine
CID 66993758
[5-chloro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]methanamine
CID 104791271
2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-4-chloro-1-methoxybenzene
CID 107691893
[6-(2,6-diethylphenyl)-4-methylsulfanyl-3-pyridinyl]methanol
CID 66994585
N-[[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methyl]ethanamine
CID 43646629
1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene
CID 104795197

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine?
The IUPAC name of 5-[(4-chloro-2-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine (CID 66994574) is 5-[(4-chloro-2-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine.
What is the SMILES notation for 5-[(4-chloro-2-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine?
The canonical SMILES for 5-[(4-chloro-2-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine is CCc1cccc(CC)c1-c1cc(OC)c(COc2ccc(Cl)cc2F)cn1.
What is the InChIKey of 5-[(4-chloro-2-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine?
The InChIKey is CERWQGYGIDLBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFNO2/c1-4-15-7-6-8-16(5-2)23(15)20-12-22(27-3)17(13-26-20)14-28-21-10-9-18(24)11-19(21)25/h6-13H,4-5,14H2,1-3H3.
What are the key properties of 5-[(4-chloro-2-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine?
5-[(4-chloro-2-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine has a molecular weight of 399.89 g/mol, XLogP of 6.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-2-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine is sourced from PubChem (CID 66994574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).