3-(6-bromo-4-fluoro-2-pyridinyl)-6-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-a]pyridine

C15H10BrF4N3 — CID 166961843

IUPAC3-(6-bromo-4-fluoro-2-pyridinyl)-6-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-a]pyridine
SMILESCC(c1ccc2ncc(-c3cc(F)cc(Br)n3)n2c1)C(F)(F)F
InChIInChI=1S/C15H10BrF4N3/c1-8(15(18,19)20)9-2-3-14-21-6-12(23(14)7-9)11-4-10(17)5-13(16)22-11/h2-8H,1H3
InChIKeyZNUUXIAIALQUFE-UHFFFAOYSA-N
MW388.16 g/mol
LogP4.96
Rot. Bonds2

About 3-(6-bromo-4-fluoro-2-pyridinyl)-6-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-a]pyridine

3-(6-bromo-4-fluoro-2-pyridinyl)-6-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-a]pyridine (PubChem CID 166961843) has the molecular formula C15H10BrF4N3 and a molecular weight of 388.16 g/mol. Its IUPAC name is 3-(6-bromo-4-fluoro-2-pyridinyl)-6-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(6-bromo-4-fluoro-2-pyridinyl)-6-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-a]pyridine
PubChem CID166961843
Molecular FormulaC15H10BrF4N3
Molecular Weight388.16 g/mol
Exact Mass387.00
IUPAC Name3-(6-bromo-4-fluoro-2-pyridinyl)-6-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-a]pyridine
SMILESCC(c1ccc2ncc(-c3cc(F)cc(Br)n3)n2c1)C(F)(F)F
InChIInChI=1S/C15H10BrF4N3/c1-8(15(18,19)20)9-2-3-14-21-6-12(23(14)7-9)11-4-10(17)5-13(16)22-11/h2-8H,1H3
InChIKeyZNUUXIAIALQUFE-UHFFFAOYSA-N
XLogP4.96
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.16
LogP ≤ 54.96
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 3-(6-bromo-4-fluoro-2-pyridinyl)-6-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(6-bromo-4-fluoro-2-pyridinyl)-6-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-a]pyridine (CID 166961843) is 3-(6-bromo-4-fluoro-2-pyridinyl)-6-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(6-bromo-4-fluoro-2-pyridinyl)-6-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(6-bromo-4-fluoro-2-pyridinyl)-6-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-a]pyridine is CC(c1ccc2ncc(-c3cc(F)cc(Br)n3)n2c1)C(F)(F)F.
What is the InChIKey of 3-(6-bromo-4-fluoro-2-pyridinyl)-6-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-a]pyridine?
The InChIKey is ZNUUXIAIALQUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF4N3/c1-8(15(18,19)20)9-2-3-14-21-6-12(23(14)7-9)11-4-10(17)5-13(16)22-11/h2-8H,1H3.
What are the key properties of 3-(6-bromo-4-fluoro-2-pyridinyl)-6-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-a]pyridine?
3-(6-bromo-4-fluoro-2-pyridinyl)-6-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-a]pyridine has a molecular weight of 388.16 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-4-fluoro-2-pyridinyl)-6-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 166961843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).