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

C10H9Br2F5N2O — CID 118035220

IUPAC6-bromo-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide
SMILESBr.CC1=C(Br)C=CC2=NC(O)(C(F)(F)C(F)(F)F)CN21
InChIInChI=1S/C10H8BrF5N2O.BrH/c1-5-6(11)2-3-7-17-8(19,4-18(5)7)9(12,13)10(14,15)16;/h2-3,19H,4H2,1H3;1H
InChIKeyUQWWLAIFTGFCHP-UHFFFAOYSA-N
MW427.99 g/mol
LogP3.36
Rot. Bonds1

About 6-bromo-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide

6-bromo-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide (PubChem CID 118035220) has the molecular formula C10H9Br2F5N2O and a molecular weight of 427.99 g/mol. Its IUPAC name is 6-bromo-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide.

Molecular Properties

Compound Name6-bromo-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide
PubChem CID118035220
Molecular FormulaC10H9Br2F5N2O
Molecular Weight427.99 g/mol
Exact Mass425.90
IUPAC Name6-bromo-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide
SMILESBr.CC1=C(Br)C=CC2=NC(O)(C(F)(F)C(F)(F)F)CN21
InChIInChI=1S/C10H8BrF5N2O.BrH/c1-5-6(11)2-3-7-17-8(19,4-18(5)7)9(12,13)10(14,15)16;/h2-3,19H,4H2,1H3;1H
InChIKeyUQWWLAIFTGFCHP-UHFFFAOYSA-N
XLogP3.36
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.99
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', '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-(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
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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide?
The IUPAC name of 6-bromo-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide (CID 118035220) is 6-bromo-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide.
What is the SMILES notation for 6-bromo-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide?
The canonical SMILES for 6-bromo-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide is Br.CC1=C(Br)C=CC2=NC(O)(C(F)(F)C(F)(F)F)CN21.
What is the InChIKey of 6-bromo-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide?
The InChIKey is UQWWLAIFTGFCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF5N2O.BrH/c1-5-6(11)2-3-7-17-8(19,4-18(5)7)9(12,13)10(14,15)16;/h2-3,19H,4H2,1H3;1H.
What are the key properties of 6-bromo-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide?
6-bromo-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide has a molecular weight of 427.99 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide is sourced from PubChem (CID 118035220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).