2-fluoro-5-[4-[(5-propan-2-yl-2-pyridinyl)oxy]butan-2-yl]pyridine

C17H21FN2O — CID 167162269

IUPAC2-fluoro-5-[4-[(5-propan-2-yl-2-pyridinyl)oxy]butan-2-yl]pyridine
SMILESCC(C)c1ccc(OCCC(C)c2ccc(F)nc2)nc1
InChIInChI=1S/C17H21FN2O/c1-12(2)14-5-7-17(20-10-14)21-9-8-13(3)15-4-6-16(18)19-11-15/h4-7,10-13H,8-9H2,1-3H3
InChIKeyNQWIFFIDHROAJY-UHFFFAOYSA-N
MW288.37 g/mol
LogP4.31
Rot. Bonds6

About 2-fluoro-5-[4-[(5-propan-2-yl-2-pyridinyl)oxy]butan-2-yl]pyridine

2-fluoro-5-[4-[(5-propan-2-yl-2-pyridinyl)oxy]butan-2-yl]pyridine (PubChem CID 167162269) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-fluoro-5-[4-[(5-propan-2-yl-2-pyridinyl)oxy]butan-2-yl]pyridine.

Molecular Properties

Compound Name2-fluoro-5-[4-[(5-propan-2-yl-2-pyridinyl)oxy]butan-2-yl]pyridine
PubChem CID167162269
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name2-fluoro-5-[4-[(5-propan-2-yl-2-pyridinyl)oxy]butan-2-yl]pyridine
SMILESCC(C)c1ccc(OCCC(C)c2ccc(F)nc2)nc1
InChIInChI=1S/C17H21FN2O/c1-12(2)14-5-7-17(20-10-14)21-9-8-13(3)15-4-6-16(18)19-11-15/h4-7,10-13H,8-9H2,1-3H3
InChIKeyNQWIFFIDHROAJY-UHFFFAOYSA-N
XLogP4.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[4-[(5-propan-2-yl-2-pyridinyl)oxy]butan-2-yl]pyridine?
The IUPAC name of 2-fluoro-5-[4-[(5-propan-2-yl-2-pyridinyl)oxy]butan-2-yl]pyridine (CID 167162269) is 2-fluoro-5-[4-[(5-propan-2-yl-2-pyridinyl)oxy]butan-2-yl]pyridine.
What is the SMILES notation for 2-fluoro-5-[4-[(5-propan-2-yl-2-pyridinyl)oxy]butan-2-yl]pyridine?
The canonical SMILES for 2-fluoro-5-[4-[(5-propan-2-yl-2-pyridinyl)oxy]butan-2-yl]pyridine is CC(C)c1ccc(OCCC(C)c2ccc(F)nc2)nc1.
What is the InChIKey of 2-fluoro-5-[4-[(5-propan-2-yl-2-pyridinyl)oxy]butan-2-yl]pyridine?
The InChIKey is NQWIFFIDHROAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-12(2)14-5-7-17(20-10-14)21-9-8-13(3)15-4-6-16(18)19-11-15/h4-7,10-13H,8-9H2,1-3H3.
What are the key properties of 2-fluoro-5-[4-[(5-propan-2-yl-2-pyridinyl)oxy]butan-2-yl]pyridine?
2-fluoro-5-[4-[(5-propan-2-yl-2-pyridinyl)oxy]butan-2-yl]pyridine has a molecular weight of 288.37 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[4-[(5-propan-2-yl-2-pyridinyl)oxy]butan-2-yl]pyridine is sourced from PubChem (CID 167162269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).