5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine

C9H6F5N3 — CID 81136910

IUPAC5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2n1
InChIInChI=1S/C9H6F5N3/c1-4-2-3-5-6(15-4)17-7(16-5)8(10,11)9(12,13)14/h2-3H,1H3,(H,15,16,17)
InChIKeyBHIJGKFULQZNMJ-UHFFFAOYSA-N
MW251.16 g/mol
LogP2.92
Rot. Bonds1

About 5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine

5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 81136910) has the molecular formula C9H6F5N3 and a molecular weight of 251.16 g/mol. Its IUPAC name is 5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine
PubChem CID81136910
Molecular FormulaC9H6F5N3
Molecular Weight251.16 g/mol
Exact Mass251.05
IUPAC Name5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2n1
InChIInChI=1S/C9H6F5N3/c1-4-2-3-5-6(15-4)17-7(16-5)8(10,11)9(12,13)14/h2-3H,1H3,(H,15,16,17)
InChIKeyBHIJGKFULQZNMJ-UHFFFAOYSA-N
XLogP2.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine (CID 81136910) is 5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine is Cc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2n1.
What is the InChIKey of 5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is BHIJGKFULQZNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5N3/c1-4-2-3-5-6(15-4)17-7(16-5)8(10,11)9(12,13)14/h2-3H,1H3,(H,15,16,17).
What are the key properties of 5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine?
5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 251.16 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 81136910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).