potassium 6-(2,2-difluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate

C11H13F2KN2O2 — CID 145225022

IUPACpotassium 6-(2,2-difluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate
SMILESCC(F)(F)CC1CCc2cnc(C(=O)[O-])n2C1.[K+]
InChIInChI=1S/C11H14F2N2O2.K/c1-11(12,13)4-7-2-3-8-5-14-9(10(16)17)15(8)6-7;/h5,7H,2-4,6H2,1H3,(H,16,17);/q;+1/p-1
InChIKeyIKDBXMFDOPHKSL-UHFFFAOYSA-M
MW282.33 g/mol
LogP-2.14
Rot. Bonds3

About potassium 6-(2,2-difluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate

potassium 6-(2,2-difluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate (PubChem CID 145225022) has the molecular formula C11H13F2KN2O2 and a molecular weight of 282.33 g/mol. Its IUPAC name is potassium 6-(2,2-difluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namepotassium 6-(2,2-difluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate
PubChem CID145225022
Molecular FormulaC11H13F2KN2O2
Molecular Weight282.33 g/mol
Exact Mass282.06
IUPAC Namepotassium 6-(2,2-difluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate
SMILESCC(F)(F)CC1CCc2cnc(C(=O)[O-])n2C1.[K+]
InChIInChI=1S/C11H14F2N2O2.K/c1-11(12,13)4-7-2-3-8-5-14-9(10(16)17)15(8)6-7;/h5,7H,2-4,6H2,1H3,(H,16,17);/q;+1/p-1
InChIKeyIKDBXMFDOPHKSL-UHFFFAOYSA-M
XLogP-2.14
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 5-2.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of potassium 6-(2,2-difluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of potassium 6-(2,2-difluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate (CID 145225022) is potassium 6-(2,2-difluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for potassium 6-(2,2-difluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for potassium 6-(2,2-difluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate is CC(F)(F)CC1CCc2cnc(C(=O)[O-])n2C1.[K+].
What is the InChIKey of potassium 6-(2,2-difluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate?
The InChIKey is IKDBXMFDOPHKSL-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14F2N2O2.K/c1-11(12,13)4-7-2-3-8-5-14-9(10(16)17)15(8)6-7;/h5,7H,2-4,6H2,1H3,(H,16,17);/q;+1/p-1.
What are the key properties of potassium 6-(2,2-difluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate?
potassium 6-(2,2-difluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate has a molecular weight of 282.33 g/mol, XLogP of -2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 6-(2,2-difluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 145225022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).