2-tert-butyl-5-fluoro-4-methylpyridine

C10H14FN — CID 59286667

IUPAC2-tert-butyl-5-fluoro-4-methylpyridine
SMILESCc1cc(C(C)(C)C)ncc1F
InChIInChI=1S/C10H14FN/c1-7-5-9(10(2,3)4)12-6-8(7)11/h5-6H,1-4H3
InChIKeyWQBPNLXVVSLIPG-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.83
Rot. Bonds

About 2-tert-butyl-5-fluoro-4-methylpyridine

2-tert-butyl-5-fluoro-4-methylpyridine (PubChem CID 59286667) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-tert-butyl-5-fluoro-4-methylpyridine.

Molecular Properties

Compound Name2-tert-butyl-5-fluoro-4-methylpyridine
PubChem CID59286667
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name2-tert-butyl-5-fluoro-4-methylpyridine
SMILESCc1cc(C(C)(C)C)ncc1F
InChIInChI=1S/C10H14FN/c1-7-5-9(10(2,3)4)12-6-8(7)11/h5-6H,1-4H3
InChIKeyWQBPNLXVVSLIPG-UHFFFAOYSA-N
XLogP2.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-fluoro-4-methylpyridine?
The IUPAC name of 2-tert-butyl-5-fluoro-4-methylpyridine (CID 59286667) is 2-tert-butyl-5-fluoro-4-methylpyridine.
What is the SMILES notation for 2-tert-butyl-5-fluoro-4-methylpyridine?
The canonical SMILES for 2-tert-butyl-5-fluoro-4-methylpyridine is Cc1cc(C(C)(C)C)ncc1F.
What is the InChIKey of 2-tert-butyl-5-fluoro-4-methylpyridine?
The InChIKey is WQBPNLXVVSLIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-7-5-9(10(2,3)4)12-6-8(7)11/h5-6H,1-4H3.
What are the key properties of 2-tert-butyl-5-fluoro-4-methylpyridine?
2-tert-butyl-5-fluoro-4-methylpyridine has a molecular weight of 167.23 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-fluoro-4-methylpyridine is sourced from PubChem (CID 59286667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).