5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methoxypyridine

C20H17ClFNO2 — CID 70227520

IUPAC5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methoxypyridine
SMILESCOc1ccc(Cc2ccc(OC)c(-c3cccc(Cl)c3)c2F)cn1
InChIInChI=1S/C20H17ClFNO2/c1-24-17-8-7-15(10-13-6-9-18(25-2)23-12-13)20(22)19(17)14-4-3-5-16(21)11-14/h3-9,11-12H,10H2,1-2H3
InChIKeyQAKHTCQMFQQFCQ-UHFFFAOYSA-N
MW357.81 g/mol
LogP5.15
Rot. Bonds5

About 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methoxypyridine

5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methoxypyridine (PubChem CID 70227520) has the molecular formula C20H17ClFNO2 and a molecular weight of 357.81 g/mol. Its IUPAC name is 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methoxypyridine.

Molecular Properties

Compound Name5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methoxypyridine
PubChem CID70227520
Molecular FormulaC20H17ClFNO2
Molecular Weight357.81 g/mol
Exact Mass357.09
IUPAC Name5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methoxypyridine
SMILESCOc1ccc(Cc2ccc(OC)c(-c3cccc(Cl)c3)c2F)cn1
InChIInChI=1S/C20H17ClFNO2/c1-24-17-8-7-15(10-13-6-9-18(25-2)23-12-13)20(22)19(17)14-4-3-5-16(21)11-14/h3-9,11-12H,10H2,1-2H3
InChIKeyQAKHTCQMFQQFCQ-UHFFFAOYSA-N
XLogP5.15
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.81
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methoxypyridine?
The IUPAC name of 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methoxypyridine (CID 70227520) is 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methoxypyridine.
What is the SMILES notation for 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methoxypyridine?
The canonical SMILES for 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methoxypyridine is COc1ccc(Cc2ccc(OC)c(-c3cccc(Cl)c3)c2F)cn1.
What is the InChIKey of 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methoxypyridine?
The InChIKey is QAKHTCQMFQQFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFNO2/c1-24-17-8-7-15(10-13-6-9-18(25-2)23-12-13)20(22)19(17)14-4-3-5-16(21)11-14/h3-9,11-12H,10H2,1-2H3.
What are the key properties of 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methoxypyridine?
5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methoxypyridine has a molecular weight of 357.81 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-methoxypyridine is sourced from PubChem (CID 70227520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).