2-fluoro-3-methyl-5-(3-propan-2-ylphenyl)pyridine

C15H16FN — CID 67679272

IUPAC2-fluoro-3-methyl-5-(3-propan-2-ylphenyl)pyridine
SMILESCc1cc(-c2cccc(C(C)C)c2)cnc1F
InChIInChI=1S/C15H16FN/c1-10(2)12-5-4-6-13(8-12)14-7-11(3)15(16)17-9-14/h4-10H,1-3H3
InChIKeyFCYWRULTSXCDLE-UHFFFAOYSA-N
MW229.30 g/mol
LogP4.32
Rot. Bonds2

About 2-fluoro-3-methyl-5-(3-propan-2-ylphenyl)pyridine

2-fluoro-3-methyl-5-(3-propan-2-ylphenyl)pyridine (PubChem CID 67679272) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-fluoro-3-methyl-5-(3-propan-2-ylphenyl)pyridine.

Molecular Properties

Compound Name2-fluoro-3-methyl-5-(3-propan-2-ylphenyl)pyridine
PubChem CID67679272
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC Name2-fluoro-3-methyl-5-(3-propan-2-ylphenyl)pyridine
SMILESCc1cc(-c2cccc(C(C)C)c2)cnc1F
InChIInChI=1S/C15H16FN/c1-10(2)12-5-4-6-13(8-12)14-7-11(3)15(16)17-9-14/h4-10H,1-3H3
InChIKeyFCYWRULTSXCDLE-UHFFFAOYSA-N
XLogP4.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-3-methyl-5-(3-propan-2-ylphenyl)pyridine?
The IUPAC name of 2-fluoro-3-methyl-5-(3-propan-2-ylphenyl)pyridine (CID 67679272) is 2-fluoro-3-methyl-5-(3-propan-2-ylphenyl)pyridine.
What is the SMILES notation for 2-fluoro-3-methyl-5-(3-propan-2-ylphenyl)pyridine?
The canonical SMILES for 2-fluoro-3-methyl-5-(3-propan-2-ylphenyl)pyridine is Cc1cc(-c2cccc(C(C)C)c2)cnc1F.
What is the InChIKey of 2-fluoro-3-methyl-5-(3-propan-2-ylphenyl)pyridine?
The InChIKey is FCYWRULTSXCDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN/c1-10(2)12-5-4-6-13(8-12)14-7-11(3)15(16)17-9-14/h4-10H,1-3H3.
What are the key properties of 2-fluoro-3-methyl-5-(3-propan-2-ylphenyl)pyridine?
2-fluoro-3-methyl-5-(3-propan-2-ylphenyl)pyridine has a molecular weight of 229.30 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-5-(3-propan-2-ylphenyl)pyridine is sourced from PubChem (CID 67679272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).