4,7-ditert-butyl-6-fluoro-2H-imidazo[4,5-c]pyridine

C14H20FN3 — CID 134451257

IUPAC4,7-ditert-butyl-6-fluoro-2H-imidazo[4,5-c]pyridine
SMILESCC(C)(C)c1nc(F)c(C(C)(C)C)c2c1=NCN=2
InChIInChI=1S/C14H20FN3/c1-13(2,3)8-9-10(17-7-16-9)11(14(4,5)6)18-12(8)15/h7H2,1-6H3
InChIKeyDERHVPWSSKXBOZ-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.03
Rot. Bonds

About 4,7-ditert-butyl-6-fluoro-2H-imidazo[4,5-c]pyridine

4,7-ditert-butyl-6-fluoro-2H-imidazo[4,5-c]pyridine (PubChem CID 134451257) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is 4,7-ditert-butyl-6-fluoro-2H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4,7-ditert-butyl-6-fluoro-2H-imidazo[4,5-c]pyridine
PubChem CID134451257
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name4,7-ditert-butyl-6-fluoro-2H-imidazo[4,5-c]pyridine
SMILESCC(C)(C)c1nc(F)c(C(C)(C)C)c2c1=NCN=2
InChIInChI=1S/C14H20FN3/c1-13(2,3)8-9-10(17-7-16-9)11(14(4,5)6)18-12(8)15/h7H2,1-6H3
InChIKeyDERHVPWSSKXBOZ-UHFFFAOYSA-N
XLogP2.03
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4,7-ditert-butyl-6-fluoro-2H-imidazo[4,5-c]pyridine?
The IUPAC name of 4,7-ditert-butyl-6-fluoro-2H-imidazo[4,5-c]pyridine (CID 134451257) is 4,7-ditert-butyl-6-fluoro-2H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4,7-ditert-butyl-6-fluoro-2H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4,7-ditert-butyl-6-fluoro-2H-imidazo[4,5-c]pyridine is CC(C)(C)c1nc(F)c(C(C)(C)C)c2c1=NCN=2.
What is the InChIKey of 4,7-ditert-butyl-6-fluoro-2H-imidazo[4,5-c]pyridine?
The InChIKey is DERHVPWSSKXBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-13(2,3)8-9-10(17-7-16-9)11(14(4,5)6)18-12(8)15/h7H2,1-6H3.
What are the key properties of 4,7-ditert-butyl-6-fluoro-2H-imidazo[4,5-c]pyridine?
4,7-ditert-butyl-6-fluoro-2H-imidazo[4,5-c]pyridine has a molecular weight of 249.33 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-ditert-butyl-6-fluoro-2H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 134451257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).