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

C8H4F5N3 — CID 10105558

IUPAC2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)C(F)(F)c1nc2ncccc2[nH]1
InChIInChI=1S/C8H4F5N3/c9-7(10,8(11,12)13)6-15-4-2-1-3-14-5(4)16-6/h1-3H,(H,14,15,16)
InChIKeyVGRGCVSHDGTMGT-UHFFFAOYSA-N
MW237.13 g/mol
LogP2.61
Rot. Bonds1

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

2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 10105558) has the molecular formula C8H4F5N3 and a molecular weight of 237.13 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine
PubChem CID10105558
Molecular FormulaC8H4F5N3
Molecular Weight237.13 g/mol
Exact Mass237.03
IUPAC Name2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)C(F)(F)c1nc2ncccc2[nH]1
InChIInChI=1S/C8H4F5N3/c9-7(10,8(11,12)13)6-15-4-2-1-3-14-5(4)16-6/h1-3H,(H,14,15,16)
InChIKeyVGRGCVSHDGTMGT-UHFFFAOYSA-N
XLogP2.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine (CID 10105558) is 2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine is FC(F)(F)C(F)(F)c1nc2ncccc2[nH]1.
What is the InChIKey of 2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is VGRGCVSHDGTMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5N3/c9-7(10,8(11,12)13)6-15-4-2-1-3-14-5(4)16-6/h1-3H,(H,14,15,16).
What are the key properties of 2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine?
2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 237.13 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 10105558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).