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

C23H23ClFNO2 — CID 66994441

IUPAC5-[(2-chloro-6-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine
SMILESCCc1cccc(CC)c1-c1cc(OC)c(COc2c(F)cccc2Cl)cn1
InChIInChI=1S/C23H23ClFNO2/c1-4-15-8-6-9-16(5-2)22(15)20-12-21(27-3)17(13-26-20)14-28-23-18(24)10-7-11-19(23)25/h6-13H,4-5,14H2,1-3H3
InChIKeyCTMQJYNFMFZERQ-UHFFFAOYSA-N
MW399.89 g/mol
LogP6.25
Rot. Bonds7

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

5-[(2-chloro-6-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine (PubChem CID 66994441) has the molecular formula C23H23ClFNO2 and a molecular weight of 399.89 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine
PubChem CID66994441
Molecular FormulaC23H23ClFNO2
Molecular Weight399.89 g/mol
Exact Mass399.14
IUPAC Name5-[(2-chloro-6-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine
SMILESCCc1cccc(CC)c1-c1cc(OC)c(COc2c(F)cccc2Cl)cn1
InChIInChI=1S/C23H23ClFNO2/c1-4-15-8-6-9-16(5-2)22(15)20-12-21(27-3)17(13-26-20)14-28-23-18(24)10-7-11-19(23)25/h6-13H,4-5,14H2,1-3H3
InChIKeyCTMQJYNFMFZERQ-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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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine?
The IUPAC name of 5-[(2-chloro-6-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine (CID 66994441) is 5-[(2-chloro-6-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine?
The canonical SMILES for 5-[(2-chloro-6-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine is CCc1cccc(CC)c1-c1cc(OC)c(COc2c(F)cccc2Cl)cn1.
What is the InChIKey of 5-[(2-chloro-6-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine?
The InChIKey is CTMQJYNFMFZERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFNO2/c1-4-15-8-6-9-16(5-2)22(15)20-12-21(27-3)17(13-26-20)14-28-23-18(24)10-7-11-19(23)25/h6-13H,4-5,14H2,1-3H3.
What are the key properties of 5-[(2-chloro-6-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine?
5-[(2-chloro-6-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-[(2-chloro-6-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine is sourced from PubChem (CID 66994441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).