1-(2-fluorophenyl)-2-methyl-5-propan-2-yloxy-2H-pyridine

C15H18FNO — CID 156754601

IUPAC1-(2-fluorophenyl)-2-methyl-5-propan-2-yloxy-2H-pyridine
SMILESCC(C)OC1=CN(c2ccccc2F)C(C)C=C1
InChIInChI=1S/C15H18FNO/c1-11(2)18-13-9-8-12(3)17(10-13)15-7-5-4-6-14(15)16/h4-12H,1-3H3
InChIKeyHMWYOMRVTASPMB-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.86
Rot. Bonds3

About 1-(2-fluorophenyl)-2-methyl-5-propan-2-yloxy-2H-pyridine

1-(2-fluorophenyl)-2-methyl-5-propan-2-yloxy-2H-pyridine (PubChem CID 156754601) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-methyl-5-propan-2-yloxy-2H-pyridine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-methyl-5-propan-2-yloxy-2H-pyridine
PubChem CID156754601
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name1-(2-fluorophenyl)-2-methyl-5-propan-2-yloxy-2H-pyridine
SMILESCC(C)OC1=CN(c2ccccc2F)C(C)C=C1
InChIInChI=1S/C15H18FNO/c1-11(2)18-13-9-8-12(3)17(10-13)15-7-5-4-6-14(15)16/h4-12H,1-3H3
InChIKeyHMWYOMRVTASPMB-UHFFFAOYSA-N
XLogP3.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-methyl-5-propan-2-yloxy-2H-pyridine?
The IUPAC name of 1-(2-fluorophenyl)-2-methyl-5-propan-2-yloxy-2H-pyridine (CID 156754601) is 1-(2-fluorophenyl)-2-methyl-5-propan-2-yloxy-2H-pyridine.
What is the SMILES notation for 1-(2-fluorophenyl)-2-methyl-5-propan-2-yloxy-2H-pyridine?
The canonical SMILES for 1-(2-fluorophenyl)-2-methyl-5-propan-2-yloxy-2H-pyridine is CC(C)OC1=CN(c2ccccc2F)C(C)C=C1.
What is the InChIKey of 1-(2-fluorophenyl)-2-methyl-5-propan-2-yloxy-2H-pyridine?
The InChIKey is HMWYOMRVTASPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-11(2)18-13-9-8-12(3)17(10-13)15-7-5-4-6-14(15)16/h4-12H,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-2-methyl-5-propan-2-yloxy-2H-pyridine?
1-(2-fluorophenyl)-2-methyl-5-propan-2-yloxy-2H-pyridine has a molecular weight of 247.31 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-methyl-5-propan-2-yloxy-2H-pyridine is sourced from PubChem (CID 156754601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).