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

C9H8BrF5N2O — CID 141383832

IUPAC2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide
SMILESBr.OC1(C(F)(F)C(F)(F)F)CN2C=CC=CC2=N1
InChIInChI=1S/C9H7F5N2O.BrH/c10-8(11,9(12,13)14)7(17)5-16-4-2-1-3-6(16)15-7;/h1-4,17H,5H2;1H
InChIKeyUKTFUPLMPXAUJE-UHFFFAOYSA-N
MW335.07 g/mol
LogP2.25
Rot. Bonds1

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

2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide (PubChem CID 141383832) has the molecular formula C9H8BrF5N2O and a molecular weight of 335.07 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide
PubChem CID141383832
Molecular FormulaC9H8BrF5N2O
Molecular Weight335.07 g/mol
Exact Mass333.97
IUPAC Name2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide
SMILESBr.OC1(C(F)(F)C(F)(F)F)CN2C=CC=CC2=N1
InChIInChI=1S/C9H7F5N2O.BrH/c10-8(11,9(12,13)14)7(17)5-16-4-2-1-3-6(16)15-7;/h1-4,17H,5H2;1H
InChIKeyUKTFUPLMPXAUJE-UHFFFAOYSA-N
XLogP2.25
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.07
LogP ≤ 52.25
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

8-chloro-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol
CID 69519793
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-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
8-chloro-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide
CID 140032032
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
2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol
CID 141383833
2-methyl-3H-imidazo[1,2-a]pyridin-2-ol
CID 45082891
(2S)-2-methyl-3H-imidazo[1,2-a]pyridin-2-ol
CID 93495664

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide (CID 141383832) is 2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide is Br.OC1(C(F)(F)C(F)(F)F)CN2C=CC=CC2=N1.
What is the InChIKey of 2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide?
The InChIKey is UKTFUPLMPXAUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5N2O.BrH/c10-8(11,9(12,13)14)7(17)5-16-4-2-1-3-6(16)15-7;/h1-4,17H,5H2;1H.
What are the key properties of 2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide?
2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide has a molecular weight of 335.07 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol;hydrobromide is sourced from PubChem (CID 141383832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).