6-tert-butyl-3-fluoro-2,4-dimethylpyridine

C11H16FN — CID 126493101

IUPAC6-tert-butyl-3-fluoro-2,4-dimethylpyridine
SMILESCc1cc(C(C)(C)C)nc(C)c1F
InChIInChI=1S/C11H16FN/c1-7-6-9(11(3,4)5)13-8(2)10(7)12/h6H,1-5H3
InChIKeyZBCLVZXPXAVFSW-UHFFFAOYSA-N
MW181.25 g/mol
LogP3.14
Rot. Bonds

About 6-tert-butyl-3-fluoro-2,4-dimethylpyridine

6-tert-butyl-3-fluoro-2,4-dimethylpyridine (PubChem CID 126493101) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 6-tert-butyl-3-fluoro-2,4-dimethylpyridine.

Molecular Properties

Compound Name6-tert-butyl-3-fluoro-2,4-dimethylpyridine
PubChem CID126493101
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name6-tert-butyl-3-fluoro-2,4-dimethylpyridine
SMILESCc1cc(C(C)(C)C)nc(C)c1F
InChIInChI=1S/C11H16FN/c1-7-6-9(11(3,4)5)13-8(2)10(7)12/h6H,1-5H3
InChIKeyZBCLVZXPXAVFSW-UHFFFAOYSA-N
XLogP3.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-fluoro-2,4-dimethylpyridine?
The IUPAC name of 6-tert-butyl-3-fluoro-2,4-dimethylpyridine (CID 126493101) is 6-tert-butyl-3-fluoro-2,4-dimethylpyridine.
What is the SMILES notation for 6-tert-butyl-3-fluoro-2,4-dimethylpyridine?
The canonical SMILES for 6-tert-butyl-3-fluoro-2,4-dimethylpyridine is Cc1cc(C(C)(C)C)nc(C)c1F.
What is the InChIKey of 6-tert-butyl-3-fluoro-2,4-dimethylpyridine?
The InChIKey is ZBCLVZXPXAVFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-7-6-9(11(3,4)5)13-8(2)10(7)12/h6H,1-5H3.
What are the key properties of 6-tert-butyl-3-fluoro-2,4-dimethylpyridine?
6-tert-butyl-3-fluoro-2,4-dimethylpyridine has a molecular weight of 181.25 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-fluoro-2,4-dimethylpyridine is sourced from PubChem (CID 126493101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).