2-(difluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid

C9H10F2N2O2 — CID 166010449

IUPAC2-(difluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)C1C(C(F)F)NC2C=CC=CN21
InChIInChI=1S/C9H10F2N2O2/c10-8(11)6-7(9(14)15)13-4-2-1-3-5(13)12-6/h1-8,12H,(H,14,15)
InChIKeyIJMOHSVHJFRUJG-UHFFFAOYSA-N
MW216.19 g/mol
LogP0.39
Rot. Bonds2

About 2-(difluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid

2-(difluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 166010449) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID166010449
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name2-(difluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)C1C(C(F)F)NC2C=CC=CN21
InChIInChI=1S/C9H10F2N2O2/c10-8(11)6-7(9(14)15)13-4-2-1-3-5(13)12-6/h1-8,12H,(H,14,15)
InChIKeyIJMOHSVHJFRUJG-UHFFFAOYSA-N
XLogP0.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid (CID 166010449) is 2-(difluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid is O=C(O)C1C(C(F)F)NC2C=CC=CN21.
What is the InChIKey of 2-(difluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is IJMOHSVHJFRUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c10-8(11)6-7(9(14)15)13-4-2-1-3-5(13)12-6/h1-8,12H,(H,14,15).
What are the key properties of 2-(difluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
2-(difluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 216.19 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 166010449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).