3-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol

C9H8BrF3N2O — CID 141383829

IUPAC3-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol
SMILESCC1=CC=CC2=NC(O)(C(F)(F)F)C(Br)N12
InChIInChI=1S/C9H8BrF3N2O/c1-5-3-2-4-6-14-8(16,9(11,12)13)7(10)15(5)6/h2-4,7,16H,1H3
InChIKeyWPDFAQWCKXESKS-UHFFFAOYSA-N
MW297.07 g/mol
LogP2.15
Rot. Bonds

About 3-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol

3-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol (PubChem CID 141383829) has the molecular formula C9H8BrF3N2O and a molecular weight of 297.07 g/mol. Its IUPAC name is 3-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol.

Molecular Properties

Compound Name3-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol
PubChem CID141383829
Molecular FormulaC9H8BrF3N2O
Molecular Weight297.07 g/mol
Exact Mass295.98
IUPAC Name3-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol
SMILESCC1=CC=CC2=NC(O)(C(F)(F)F)C(Br)N12
InChIInChI=1S/C9H8BrF3N2O/c1-5-3-2-4-6-14-8(16,9(11,12)13)7(10)15(5)6/h2-4,7,16H,1H3
InChIKeyWPDFAQWCKXESKS-UHFFFAOYSA-N
XLogP2.15
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.07
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

7-Bromo-2-trifluoromethyl-2,3-dihydroimidazo[1,2-a]pyridin-2-ol hydrobromide
CID 118034959
7-bromo-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol
CID 118034960
6-Bromo-5-methyl-2-trifluoromethyl-2,3-dihydroimidazo [1,2-a]pyridin-2-ol hydrobromide
CID 118035112
6-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol
CID 118035113
6-Bromo-5-methyl-2-pentafluoroethyl-2,3-dihydroimidazo[1,2-a]pyridin-2-ol hydrobromide
CID 118035220
6-bromo-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol
CID 118035221
6-bromo-5-methyl-2-(2,2,2-trifluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol
CID 118216386
3-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide
CID 141383828
2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide
CID 141383832
6-bromo-5-(iodomethyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol
CID 145686226
6-bromo-5-methyl-2-(2,2,2-trifluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide
CID 162334657
6-bromo-2,5-dimethyl-3H-imidazo[1,2-a]pyridin-2-ol
CID 118216379

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol?
The IUPAC name of 3-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol (CID 141383829) is 3-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol.
What is the SMILES notation for 3-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol?
The canonical SMILES for 3-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol is CC1=CC=CC2=NC(O)(C(F)(F)F)C(Br)N12.
What is the InChIKey of 3-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol?
The InChIKey is WPDFAQWCKXESKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3N2O/c1-5-3-2-4-6-14-8(16,9(11,12)13)7(10)15(5)6/h2-4,7,16H,1H3.
What are the key properties of 3-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol?
3-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol has a molecular weight of 297.07 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol is sourced from PubChem (CID 141383829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).