4-tert-butyl-2-fluoropyridine

C9H12FN — CID 14296366

IUPAC4-tert-butyl-2-fluoropyridine
SMILESCC(C)(C)c1ccnc(F)c1
InChIInChI=1S/C9H12FN/c1-9(2,3)7-4-5-11-8(10)6-7/h4-6H,1-3H3
InChIKeyMRAIDGBWVXPHAL-UHFFFAOYSA-N
MW153.20 g/mol
LogP2.52
Rot. Bonds

About 4-tert-butyl-2-fluoropyridine

4-tert-butyl-2-fluoropyridine (PubChem CID 14296366) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 4-tert-butyl-2-fluoropyridine.

Molecular Properties

Compound Name4-tert-butyl-2-fluoropyridine
PubChem CID14296366
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name4-tert-butyl-2-fluoropyridine
SMILESCC(C)(C)c1ccnc(F)c1
InChIInChI=1S/C9H12FN/c1-9(2,3)7-4-5-11-8(10)6-7/h4-6H,1-3H3
InChIKeyMRAIDGBWVXPHAL-UHFFFAOYSA-N
XLogP2.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 52.52
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 4-tert-butyl-2-fluoropyridine?
The IUPAC name of 4-tert-butyl-2-fluoropyridine (CID 14296366) is 4-tert-butyl-2-fluoropyridine.
What is the SMILES notation for 4-tert-butyl-2-fluoropyridine?
The canonical SMILES for 4-tert-butyl-2-fluoropyridine is CC(C)(C)c1ccnc(F)c1.
What is the InChIKey of 4-tert-butyl-2-fluoropyridine?
The InChIKey is MRAIDGBWVXPHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-9(2,3)7-4-5-11-8(10)6-7/h4-6H,1-3H3.
What are the key properties of 4-tert-butyl-2-fluoropyridine?
4-tert-butyl-2-fluoropyridine has a molecular weight of 153.20 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-fluoropyridine is sourced from PubChem (CID 14296366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).