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

C15H10BrF4N3O — CID 166961903

IUPAC2-[3-(6-bromo-4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1ccc2ncc(-c3cc(F)cc(Br)n3)n2c1)C(F)(F)F
InChIInChI=1S/C15H10BrF4N3O/c1-14(24,15(18,19)20)8-2-3-13-21-6-11(23(13)7-8)10-4-9(17)5-12(16)22-10/h2-7,24H,1H3
InChIKeyVRZAJZJDYODWFQ-UHFFFAOYSA-N
MW404.16 g/mol
LogP4.07
Rot. Bonds2

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

2-[3-(6-bromo-4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 166961903) has the molecular formula C15H10BrF4N3O and a molecular weight of 404.16 g/mol. Its IUPAC name is 2-[3-(6-bromo-4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[3-(6-bromo-4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID166961903
Molecular FormulaC15H10BrF4N3O
Molecular Weight404.16 g/mol
Exact Mass402.99
IUPAC Name2-[3-(6-bromo-4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1ccc2ncc(-c3cc(F)cc(Br)n3)n2c1)C(F)(F)F
InChIInChI=1S/C15H10BrF4N3O/c1-14(24,15(18,19)20)8-2-3-13-21-6-11(23(13)7-8)10-4-9(17)5-12(16)22-10/h2-7,24H,1H3
InChIKeyVRZAJZJDYODWFQ-UHFFFAOYSA-N
XLogP4.07
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.16
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[3-(6-bromo-4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[3-(6-bromo-4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol (CID 166961903) is 2-[3-(6-bromo-4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[3-(6-bromo-4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[3-(6-bromo-4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol is CC(O)(c1ccc2ncc(-c3cc(F)cc(Br)n3)n2c1)C(F)(F)F.
What is the InChIKey of 2-[3-(6-bromo-4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is VRZAJZJDYODWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF4N3O/c1-14(24,15(18,19)20)8-2-3-13-21-6-11(23(13)7-8)10-4-9(17)5-12(16)22-10/h2-7,24H,1H3.
What are the key properties of 2-[3-(6-bromo-4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol?
2-[3-(6-bromo-4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 404.16 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-bromo-4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 166961903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).