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

C10H8BrF5N2O — CID 118035221

IUPAC6-bromo-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol
SMILESCC1=C(Br)C=CC2=NC(O)(C(F)(F)C(F)(F)F)CN21
InChIInChI=1S/C10H8BrF5N2O/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
InChIKeyHKNOZFQQMDJGLE-UHFFFAOYSA-N
MW347.08 g/mol
LogP2.78
Rot. Bonds1

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

6-bromo-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol (PubChem CID 118035221) has the molecular formula C10H8BrF5N2O and a molecular weight of 347.08 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.

Molecular Properties

Compound Name6-bromo-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol
PubChem CID118035221
Molecular FormulaC10H8BrF5N2O
Molecular Weight347.08 g/mol
Exact Mass345.97
IUPAC Name6-bromo-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol
SMILESCC1=C(Br)C=CC2=NC(O)(C(F)(F)C(F)(F)F)CN21
InChIInChI=1S/C10H8BrF5N2O/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
InChIKeyHKNOZFQQMDJGLE-UHFFFAOYSA-N
XLogP2.78
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.08
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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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?
The IUPAC name of 6-bromo-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol (CID 118035221) is 6-bromo-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol.
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?
The canonical SMILES for 6-bromo-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol is 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?
The InChIKey is HKNOZFQQMDJGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF5N2O/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.
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?
6-bromo-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3H-imidazo[1,2-a]pyridin-2-ol has a molecular weight of 347.08 g/mol, XLogP of 2.78, 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 is sourced from PubChem (CID 118035221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).