2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-imidazo[4,5-b]pyridine

C9H5F6N3 — CID 103310076

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)C(c1nc2ncccc2[nH]1)C(F)(F)F
InChIInChI=1S/C9H5F6N3/c10-8(11,12)5(9(13,14)15)7-17-4-2-1-3-16-6(4)18-7/h1-3,5H,(H,16,17,18)
InChIKeyAIUQSINXBOTUGV-UHFFFAOYSA-N
MW269.15 g/mol
LogP3.17
Rot. Bonds1

About 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-imidazo[4,5-b]pyridine

2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 103310076) has the molecular formula C9H5F6N3 and a molecular weight of 269.15 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID103310076
Molecular FormulaC9H5F6N3
Molecular Weight269.15 g/mol
Exact Mass269.04
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)C(c1nc2ncccc2[nH]1)C(F)(F)F
InChIInChI=1S/C9H5F6N3/c10-8(11,12)5(9(13,14)15)7-17-4-2-1-3-16-6(4)18-7/h1-3,5H,(H,16,17,18)
InChIKeyAIUQSINXBOTUGV-UHFFFAOYSA-N
XLogP3.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-imidazo[4,5-b]pyridine (CID 103310076) is 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-imidazo[4,5-b]pyridine is FC(F)(F)C(c1nc2ncccc2[nH]1)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is AIUQSINXBOTUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6N3/c10-8(11,12)5(9(13,14)15)7-17-4-2-1-3-16-6(4)18-7/h1-3,5H,(H,16,17,18).
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-imidazo[4,5-b]pyridine?
2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 269.15 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 103310076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).