6-(3,5-dichlorophenyl)-4-(methoxymethyl)-3-methyl-2-phenylmethoxypyridine

C21H19Cl2NO2 — CID 146251873

IUPAC6-(3,5-dichlorophenyl)-4-(methoxymethyl)-3-methyl-2-phenylmethoxypyridine
SMILESCOCc1cc(-c2cc(Cl)cc(Cl)c2)nc(OCc2ccccc2)c1C
InChIInChI=1S/C21H19Cl2NO2/c1-14-17(13-25-2)10-20(16-8-18(22)11-19(23)9-16)24-21(14)26-12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKeyILEHJCSKDKGCSA-UHFFFAOYSA-N
MW388.29 g/mol
LogP6.09
Rot. Bonds6

About 6-(3,5-dichlorophenyl)-4-(methoxymethyl)-3-methyl-2-phenylmethoxypyridine

6-(3,5-dichlorophenyl)-4-(methoxymethyl)-3-methyl-2-phenylmethoxypyridine (PubChem CID 146251873) has the molecular formula C21H19Cl2NO2 and a molecular weight of 388.29 g/mol. Its IUPAC name is 6-(3,5-dichlorophenyl)-4-(methoxymethyl)-3-methyl-2-phenylmethoxypyridine.

Molecular Properties

Compound Name6-(3,5-dichlorophenyl)-4-(methoxymethyl)-3-methyl-2-phenylmethoxypyridine
PubChem CID146251873
Molecular FormulaC21H19Cl2NO2
Molecular Weight388.29 g/mol
Exact Mass387.08
IUPAC Name6-(3,5-dichlorophenyl)-4-(methoxymethyl)-3-methyl-2-phenylmethoxypyridine
SMILESCOCc1cc(-c2cc(Cl)cc(Cl)c2)nc(OCc2ccccc2)c1C
InChIInChI=1S/C21H19Cl2NO2/c1-14-17(13-25-2)10-20(16-8-18(22)11-19(23)9-16)24-21(14)26-12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKeyILEHJCSKDKGCSA-UHFFFAOYSA-N
XLogP6.09
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.29
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichlorophenyl)-4-(methoxymethyl)-3-methyl-2-phenylmethoxypyridine?
The IUPAC name of 6-(3,5-dichlorophenyl)-4-(methoxymethyl)-3-methyl-2-phenylmethoxypyridine (CID 146251873) is 6-(3,5-dichlorophenyl)-4-(methoxymethyl)-3-methyl-2-phenylmethoxypyridine.
What is the SMILES notation for 6-(3,5-dichlorophenyl)-4-(methoxymethyl)-3-methyl-2-phenylmethoxypyridine?
The canonical SMILES for 6-(3,5-dichlorophenyl)-4-(methoxymethyl)-3-methyl-2-phenylmethoxypyridine is COCc1cc(-c2cc(Cl)cc(Cl)c2)nc(OCc2ccccc2)c1C.
What is the InChIKey of 6-(3,5-dichlorophenyl)-4-(methoxymethyl)-3-methyl-2-phenylmethoxypyridine?
The InChIKey is ILEHJCSKDKGCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO2/c1-14-17(13-25-2)10-20(16-8-18(22)11-19(23)9-16)24-21(14)26-12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3.
What are the key properties of 6-(3,5-dichlorophenyl)-4-(methoxymethyl)-3-methyl-2-phenylmethoxypyridine?
6-(3,5-dichlorophenyl)-4-(methoxymethyl)-3-methyl-2-phenylmethoxypyridine has a molecular weight of 388.29 g/mol, XLogP of 6.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dichlorophenyl)-4-(methoxymethyl)-3-methyl-2-phenylmethoxypyridine is sourced from PubChem (CID 146251873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).