2-(2,2-dimethylpropyl)-6-fluoro-3-methylpyridine

C11H16FN — CID 129223402

IUPAC2-(2,2-dimethylpropyl)-6-fluoro-3-methylpyridine
SMILESCc1ccc(F)nc1CC(C)(C)C
InChIInChI=1S/C11H16FN/c1-8-5-6-10(12)13-9(8)7-11(2,3)4/h5-6H,7H2,1-4H3
InChIKeyPKYDJTPLQKHRSU-UHFFFAOYSA-N
MW181.25 g/mol
LogP3.12
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-6-fluoro-3-methylpyridine

2-(2,2-dimethylpropyl)-6-fluoro-3-methylpyridine (PubChem CID 129223402) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-6-fluoro-3-methylpyridine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-6-fluoro-3-methylpyridine
PubChem CID129223402
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name2-(2,2-dimethylpropyl)-6-fluoro-3-methylpyridine
SMILESCc1ccc(F)nc1CC(C)(C)C
InChIInChI=1S/C11H16FN/c1-8-5-6-10(12)13-9(8)7-11(2,3)4/h5-6H,7H2,1-4H3
InChIKeyPKYDJTPLQKHRSU-UHFFFAOYSA-N
XLogP3.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.12
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-(2,2-dimethylpropyl)-6-fluoro-3-methylpyridine?
The IUPAC name of 2-(2,2-dimethylpropyl)-6-fluoro-3-methylpyridine (CID 129223402) is 2-(2,2-dimethylpropyl)-6-fluoro-3-methylpyridine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-6-fluoro-3-methylpyridine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-6-fluoro-3-methylpyridine is Cc1ccc(F)nc1CC(C)(C)C.
What is the InChIKey of 2-(2,2-dimethylpropyl)-6-fluoro-3-methylpyridine?
The InChIKey is PKYDJTPLQKHRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-8-5-6-10(12)13-9(8)7-11(2,3)4/h5-6H,7H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-6-fluoro-3-methylpyridine?
2-(2,2-dimethylpropyl)-6-fluoro-3-methylpyridine has a molecular weight of 181.25 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-6-fluoro-3-methylpyridine is sourced from PubChem (CID 129223402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).