4-tert-butyl-5-chloro-2-fluoropyridine

C9H11ClFN — CID 59233319

IUPAC4-tert-butyl-5-chloro-2-fluoropyridine
SMILESCC(C)(C)c1cc(F)ncc1Cl
InChIInChI=1S/C9H11ClFN/c1-9(2,3)6-4-8(11)12-5-7(6)10/h4-5H,1-3H3
InChIKeyNPNRCQLZZDGAEM-UHFFFAOYSA-N
MW187.65 g/mol
LogP3.17
Rot. Bonds

About 4-tert-butyl-5-chloro-2-fluoropyridine

4-tert-butyl-5-chloro-2-fluoropyridine (PubChem CID 59233319) has the molecular formula C9H11ClFN and a molecular weight of 187.65 g/mol. Its IUPAC name is 4-tert-butyl-5-chloro-2-fluoropyridine.

Molecular Properties

Compound Name4-tert-butyl-5-chloro-2-fluoropyridine
PubChem CID59233319
Molecular FormulaC9H11ClFN
Molecular Weight187.65 g/mol
Exact Mass187.06
IUPAC Name4-tert-butyl-5-chloro-2-fluoropyridine
SMILESCC(C)(C)c1cc(F)ncc1Cl
InChIInChI=1S/C9H11ClFN/c1-9(2,3)6-4-8(11)12-5-7(6)10/h4-5H,1-3H3
InChIKeyNPNRCQLZZDGAEM-UHFFFAOYSA-N
XLogP3.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 53.17
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-5-chloro-2-fluoropyridine?
The IUPAC name of 4-tert-butyl-5-chloro-2-fluoropyridine (CID 59233319) is 4-tert-butyl-5-chloro-2-fluoropyridine.
What is the SMILES notation for 4-tert-butyl-5-chloro-2-fluoropyridine?
The canonical SMILES for 4-tert-butyl-5-chloro-2-fluoropyridine is CC(C)(C)c1cc(F)ncc1Cl.
What is the InChIKey of 4-tert-butyl-5-chloro-2-fluoropyridine?
The InChIKey is NPNRCQLZZDGAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN/c1-9(2,3)6-4-8(11)12-5-7(6)10/h4-5H,1-3H3.
What are the key properties of 4-tert-butyl-5-chloro-2-fluoropyridine?
4-tert-butyl-5-chloro-2-fluoropyridine has a molecular weight of 187.65 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-chloro-2-fluoropyridine is sourced from PubChem (CID 59233319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).