2-(2,4-difluorophenyl)-6-(3-fluorophenyl)-4-methoxypyridine

C18H12F3NO — CID 15022677

IUPAC2-(2,4-difluorophenyl)-6-(3-fluorophenyl)-4-methoxypyridine
SMILESCOc1cc(-c2cccc(F)c2)nc(-c2ccc(F)cc2F)c1
InChIInChI=1S/C18H12F3NO/c1-23-14-9-17(11-3-2-4-12(19)7-11)22-18(10-14)15-6-5-13(20)8-16(15)21/h2-10H,1H3
InChIKeyAGDBLRZWMMICRN-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.84
Rot. Bonds3

About 2-(2,4-difluorophenyl)-6-(3-fluorophenyl)-4-methoxypyridine

2-(2,4-difluorophenyl)-6-(3-fluorophenyl)-4-methoxypyridine (PubChem CID 15022677) has the molecular formula C18H12F3NO and a molecular weight of 315.29 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-6-(3-fluorophenyl)-4-methoxypyridine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-6-(3-fluorophenyl)-4-methoxypyridine
PubChem CID15022677
Molecular FormulaC18H12F3NO
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC Name2-(2,4-difluorophenyl)-6-(3-fluorophenyl)-4-methoxypyridine
SMILESCOc1cc(-c2cccc(F)c2)nc(-c2ccc(F)cc2F)c1
InChIInChI=1S/C18H12F3NO/c1-23-14-9-17(11-3-2-4-12(19)7-11)22-18(10-14)15-6-5-13(20)8-16(15)21/h2-10H,1H3
InChIKeyAGDBLRZWMMICRN-UHFFFAOYSA-N
XLogP4.84
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-6-(3-fluorophenyl)-4-methoxypyridine?
The IUPAC name of 2-(2,4-difluorophenyl)-6-(3-fluorophenyl)-4-methoxypyridine (CID 15022677) is 2-(2,4-difluorophenyl)-6-(3-fluorophenyl)-4-methoxypyridine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-6-(3-fluorophenyl)-4-methoxypyridine?
The canonical SMILES for 2-(2,4-difluorophenyl)-6-(3-fluorophenyl)-4-methoxypyridine is COc1cc(-c2cccc(F)c2)nc(-c2ccc(F)cc2F)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-6-(3-fluorophenyl)-4-methoxypyridine?
The InChIKey is AGDBLRZWMMICRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO/c1-23-14-9-17(11-3-2-4-12(19)7-11)22-18(10-14)15-6-5-13(20)8-16(15)21/h2-10H,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-6-(3-fluorophenyl)-4-methoxypyridine?
2-(2,4-difluorophenyl)-6-(3-fluorophenyl)-4-methoxypyridine has a molecular weight of 315.29 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-6-(3-fluorophenyl)-4-methoxypyridine is sourced from PubChem (CID 15022677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).