6-(2-fluorophenyl)-3-phenyl-2-propoxypyridine

C20H18FNO — CID 138757062

IUPAC6-(2-fluorophenyl)-3-phenyl-2-propoxypyridine
SMILESCCCOc1nc(-c2ccccc2F)ccc1-c1ccccc1
InChIInChI=1S/C20H18FNO/c1-2-14-23-20-16(15-8-4-3-5-9-15)12-13-19(22-20)17-10-6-7-11-18(17)21/h3-13H,2,14H2,1H3
InChIKeyFKJZESCBAPWPIQ-UHFFFAOYSA-N
MW307.37 g/mol
LogP5.34
Rot. Bonds5

About 6-(2-fluorophenyl)-3-phenyl-2-propoxypyridine

6-(2-fluorophenyl)-3-phenyl-2-propoxypyridine (PubChem CID 138757062) has the molecular formula C20H18FNO and a molecular weight of 307.37 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-3-phenyl-2-propoxypyridine.

Molecular Properties

Compound Name6-(2-fluorophenyl)-3-phenyl-2-propoxypyridine
PubChem CID138757062
Molecular FormulaC20H18FNO
Molecular Weight307.37 g/mol
Exact Mass307.14
IUPAC Name6-(2-fluorophenyl)-3-phenyl-2-propoxypyridine
SMILESCCCOc1nc(-c2ccccc2F)ccc1-c1ccccc1
InChIInChI=1S/C20H18FNO/c1-2-14-23-20-16(15-8-4-3-5-9-15)12-13-19(22-20)17-10-6-7-11-18(17)21/h3-13H,2,14H2,1H3
InChIKeyFKJZESCBAPWPIQ-UHFFFAOYSA-N
XLogP5.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.37
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-3-phenyl-2-propoxypyridine?
The IUPAC name of 6-(2-fluorophenyl)-3-phenyl-2-propoxypyridine (CID 138757062) is 6-(2-fluorophenyl)-3-phenyl-2-propoxypyridine.
What is the SMILES notation for 6-(2-fluorophenyl)-3-phenyl-2-propoxypyridine?
The canonical SMILES for 6-(2-fluorophenyl)-3-phenyl-2-propoxypyridine is CCCOc1nc(-c2ccccc2F)ccc1-c1ccccc1.
What is the InChIKey of 6-(2-fluorophenyl)-3-phenyl-2-propoxypyridine?
The InChIKey is FKJZESCBAPWPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO/c1-2-14-23-20-16(15-8-4-3-5-9-15)12-13-19(22-20)17-10-6-7-11-18(17)21/h3-13H,2,14H2,1H3.
What are the key properties of 6-(2-fluorophenyl)-3-phenyl-2-propoxypyridine?
6-(2-fluorophenyl)-3-phenyl-2-propoxypyridine has a molecular weight of 307.37 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-3-phenyl-2-propoxypyridine is sourced from PubChem (CID 138757062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).