2-tert-butyl-5-chloro-3-fluoropyridine

C9H11ClFN — CID 58088163

IUPAC2-tert-butyl-5-chloro-3-fluoropyridine
SMILESCC(C)(C)c1ncc(Cl)cc1F
InChIInChI=1S/C9H11ClFN/c1-9(2,3)8-7(11)4-6(10)5-12-8/h4-5H,1-3H3
InChIKeyNXAGLSAKRLGTJD-UHFFFAOYSA-N
MW187.65 g/mol
LogP3.17
Rot. Bonds

About 2-tert-butyl-5-chloro-3-fluoropyridine

2-tert-butyl-5-chloro-3-fluoropyridine (PubChem CID 58088163) has the molecular formula C9H11ClFN and a molecular weight of 187.65 g/mol. Its IUPAC name is 2-tert-butyl-5-chloro-3-fluoropyridine.

Molecular Properties

Compound Name2-tert-butyl-5-chloro-3-fluoropyridine
PubChem CID58088163
Molecular FormulaC9H11ClFN
Molecular Weight187.65 g/mol
Exact Mass187.06
IUPAC Name2-tert-butyl-5-chloro-3-fluoropyridine
SMILESCC(C)(C)c1ncc(Cl)cc1F
InChIInChI=1S/C9H11ClFN/c1-9(2,3)8-7(11)4-6(10)5-12-8/h4-5H,1-3H3
InChIKeyNXAGLSAKRLGTJD-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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-chloro-3-fluoropyridine?
The IUPAC name of 2-tert-butyl-5-chloro-3-fluoropyridine (CID 58088163) is 2-tert-butyl-5-chloro-3-fluoropyridine.
What is the SMILES notation for 2-tert-butyl-5-chloro-3-fluoropyridine?
The canonical SMILES for 2-tert-butyl-5-chloro-3-fluoropyridine is CC(C)(C)c1ncc(Cl)cc1F.
What is the InChIKey of 2-tert-butyl-5-chloro-3-fluoropyridine?
The InChIKey is NXAGLSAKRLGTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN/c1-9(2,3)8-7(11)4-6(10)5-12-8/h4-5H,1-3H3.
What are the key properties of 2-tert-butyl-5-chloro-3-fluoropyridine?
2-tert-butyl-5-chloro-3-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 2-tert-butyl-5-chloro-3-fluoropyridine is sourced from PubChem (CID 58088163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).