6-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid

C9H6F2N2O2 — CID 170957612

IUPAC6-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(C(F)F)cn12
InChIInChI=1S/C9H6F2N2O2/c10-8(11)5-1-2-7-12-3-6(9(14)15)13(7)4-5/h1-4,8H,(H,14,15)
InChIKeyMIIJBKSJKHJJFY-UHFFFAOYSA-N
MW212.16 g/mol
LogP1.97
Rot. Bonds2

About 6-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid

6-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 170957612) has the molecular formula C9H6F2N2O2 and a molecular weight of 212.16 g/mol. Its IUPAC name is 6-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID170957612
Molecular FormulaC9H6F2N2O2
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Name6-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(C(F)F)cn12
InChIInChI=1S/C9H6F2N2O2/c10-8(11)5-1-2-7-12-3-6(9(14)15)13(7)4-5/h1-4,8H,(H,14,15)
InChIKeyMIIJBKSJKHJJFY-UHFFFAOYSA-N
XLogP1.97
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 6-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 170957612) is 6-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 6-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid is O=C(O)c1cnc2ccc(C(F)F)cn12.
What is the InChIKey of 6-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is MIIJBKSJKHJJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O2/c10-8(11)5-1-2-7-12-3-6(9(14)15)13(7)4-5/h1-4,8H,(H,14,15).
What are the key properties of 6-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
6-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 212.16 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 170957612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).