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

C9H9Br2F3N2O — CID 141383828

IUPAC3-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide
SMILESBr.CC1=CC=CC2=NC(O)(C(F)(F)F)C(Br)N12
InChIInChI=1S/C9H8BrF3N2O.BrH/c1-5-3-2-4-6-14-8(16,9(11,12)13)7(10)15(5)6;/h2-4,7,16H,1H3;1H
InChIKeyCEYQTVYJWZYUNJ-UHFFFAOYSA-N
MW377.99 g/mol
LogP2.72
Rot. Bonds

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

3-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide (PubChem CID 141383828) has the molecular formula C9H9Br2F3N2O and a molecular weight of 377.99 g/mol. Its IUPAC name is 3-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide.

Molecular Properties

Compound Name3-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide
PubChem CID141383828
Molecular FormulaC9H9Br2F3N2O
Molecular Weight377.99 g/mol
Exact Mass375.90
IUPAC Name3-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide
SMILESBr.CC1=CC=CC2=NC(O)(C(F)(F)F)C(Br)N12
InChIInChI=1S/C9H8BrF3N2O.BrH/c1-5-3-2-4-6-14-8(16,9(11,12)13)7(10)15(5)6;/h2-4,7,16H,1H3;1H
InChIKeyCEYQTVYJWZYUNJ-UHFFFAOYSA-N
XLogP2.72
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.99
LogP ≤ 52.72
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
6-bromo-5-methyl-2-(2,2,2-trifluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide
CID 162334657
3-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol
CID 141383829
6-bromo-2,5-dimethyl-3H-imidazo[1,2-a]pyridin-2-ol
CID 118216379
7-bromo-2-methyl-3H-imidazo[1,2-a]pyridin-2-ol
CID 121306073
7-bromo-2-methyl-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide
CID 161493941

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide?
The IUPAC name of 3-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide (CID 141383828) is 3-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide.
What is the SMILES notation for 3-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide?
The canonical SMILES for 3-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide is Br.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;hydrobromide?
The InChIKey is CEYQTVYJWZYUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3N2O.BrH/c1-5-3-2-4-6-14-8(16,9(11,12)13)7(10)15(5)6;/h2-4,7,16H,1H3;1H.
What are the key properties of 3-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide?
3-bromo-5-methyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide has a molecular weight of 377.99 g/mol, XLogP of 2.72, 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;hydrobromide is sourced from PubChem (CID 141383828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).