3-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-1,1,1-trifluoropropan-2-ol

C11H9BrF3N3O — CID 86792596

IUPAC3-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-1,1,1-trifluoropropan-2-ol
SMILESOC(Cn1ccnc1-c1cncc(Br)c1)C(F)(F)F
InChIInChI=1S/C11H9BrF3N3O/c12-8-3-7(4-16-5-8)10-17-1-2-18(10)6-9(19)11(13,14)15/h1-5,9,19H,6H2
InChIKeyUVGAHGSQEOQGMO-UHFFFAOYSA-N
MW336.11 g/mol
LogP2.63
Rot. Bonds3

About 3-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-1,1,1-trifluoropropan-2-ol

3-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 86792596) has the molecular formula C11H9BrF3N3O and a molecular weight of 336.11 g/mol. Its IUPAC name is 3-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID86792596
Molecular FormulaC11H9BrF3N3O
Molecular Weight336.11 g/mol
Exact Mass334.99
IUPAC Name3-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-1,1,1-trifluoropropan-2-ol
SMILESOC(Cn1ccnc1-c1cncc(Br)c1)C(F)(F)F
InChIInChI=1S/C11H9BrF3N3O/c12-8-3-7(4-16-5-8)10-17-1-2-18(10)6-9(19)11(13,14)15/h1-5,9,19H,6H2
InChIKeyUVGAHGSQEOQGMO-UHFFFAOYSA-N
XLogP2.63
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.11
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-1,1,1-trifluoropropan-2-ol (CID 86792596) is 3-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-1,1,1-trifluoropropan-2-ol is OC(Cn1ccnc1-c1cncc(Br)c1)C(F)(F)F.
What is the InChIKey of 3-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is UVGAHGSQEOQGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF3N3O/c12-8-3-7(4-16-5-8)10-17-1-2-18(10)6-9(19)11(13,14)15/h1-5,9,19H,6H2.
What are the key properties of 3-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-1,1,1-trifluoropropan-2-ol?
3-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 336.11 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 86792596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).