2-cyclopropyl-6-methyl-4-propan-2-ylpyridine;2-fluoro-6-methyl-4-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine

C30H41F2N3 — CID 177151606

IUPAC2-cyclopropyl-6-methyl-4-propan-2-ylpyridine;2-fluoro-6-methyl-4-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine
SMILESCc1cc(C(C)C)cc(C2CC2)n1.Cc1cc(C(C)C)cc(F)n1.Cc1nc(F)ccc1C(C)C
InChIInChI=1S/C12H17N.2C9H12FN/c1-8(2)11-6-9(3)13-12(7-11)10-4-5-10;1-6(2)8-4-7(3)11-9(10)5-8;1-6(2)8-4-5-9(10)11-7(8)3/h6-8,10H,4-5H2,1-3H3;2*4-6H,1-3H3
InChIKeyGLBNPZBOACWNPM-UHFFFAOYSA-N
MW481.68 g/mol
LogP8.70
Rot. Bonds4

About 2-cyclopropyl-6-methyl-4-propan-2-ylpyridine;2-fluoro-6-methyl-4-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine

2-cyclopropyl-6-methyl-4-propan-2-ylpyridine;2-fluoro-6-methyl-4-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine (PubChem CID 177151606) has the molecular formula C30H41F2N3 and a molecular weight of 481.68 g/mol. Its IUPAC name is 2-cyclopropyl-6-methyl-4-propan-2-ylpyridine;2-fluoro-6-methyl-4-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine.

Molecular Properties

Compound Name2-cyclopropyl-6-methyl-4-propan-2-ylpyridine;2-fluoro-6-methyl-4-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine
PubChem CID177151606
Molecular FormulaC30H41F2N3
Molecular Weight481.68 g/mol
Exact Mass481.33
IUPAC Name2-cyclopropyl-6-methyl-4-propan-2-ylpyridine;2-fluoro-6-methyl-4-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine
SMILESCc1cc(C(C)C)cc(C2CC2)n1.Cc1cc(C(C)C)cc(F)n1.Cc1nc(F)ccc1C(C)C
InChIInChI=1S/C12H17N.2C9H12FN/c1-8(2)11-6-9(3)13-12(7-11)10-4-5-10;1-6(2)8-4-7(3)11-9(10)5-8;1-6(2)8-4-5-9(10)11-7(8)3/h6-8,10H,4-5H2,1-3H3;2*4-6H,1-3H3
InChIKeyGLBNPZBOACWNPM-UHFFFAOYSA-N
XLogP8.70
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.68
LogP ≤ 58.70
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-cyclopropyl-6-methyl-4-propan-2-ylpyridine;2-fluoro-6-methyl-4-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine?
The IUPAC name of 2-cyclopropyl-6-methyl-4-propan-2-ylpyridine;2-fluoro-6-methyl-4-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine (CID 177151606) is 2-cyclopropyl-6-methyl-4-propan-2-ylpyridine;2-fluoro-6-methyl-4-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine.
What is the SMILES notation for 2-cyclopropyl-6-methyl-4-propan-2-ylpyridine;2-fluoro-6-methyl-4-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine?
The canonical SMILES for 2-cyclopropyl-6-methyl-4-propan-2-ylpyridine;2-fluoro-6-methyl-4-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine is Cc1cc(C(C)C)cc(C2CC2)n1.Cc1cc(C(C)C)cc(F)n1.Cc1nc(F)ccc1C(C)C.
What is the InChIKey of 2-cyclopropyl-6-methyl-4-propan-2-ylpyridine;2-fluoro-6-methyl-4-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine?
The InChIKey is GLBNPZBOACWNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.2C9H12FN/c1-8(2)11-6-9(3)13-12(7-11)10-4-5-10;1-6(2)8-4-7(3)11-9(10)5-8;1-6(2)8-4-5-9(10)11-7(8)3/h6-8,10H,4-5H2,1-3H3;2*4-6H,1-3H3.
What are the key properties of 2-cyclopropyl-6-methyl-4-propan-2-ylpyridine;2-fluoro-6-methyl-4-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine?
2-cyclopropyl-6-methyl-4-propan-2-ylpyridine;2-fluoro-6-methyl-4-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine has a molecular weight of 481.68 g/mol, XLogP of 8.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methyl-4-propan-2-ylpyridine;2-fluoro-6-methyl-4-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine is sourced from PubChem (CID 177151606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).