3-[(dimethylamino)methyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

C12H12F3N3O2 — CID 82530096

IUPAC3-[(dimethylamino)methyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCN(C)Cc1c(C(=O)O)nc2cc(C(F)(F)F)ccn12
InChIInChI=1S/C12H12F3N3O2/c1-17(2)6-8-10(11(19)20)16-9-5-7(12(13,14)15)3-4-18(8)9/h3-5H,6H2,1-2H3,(H,19,20)
InChIKeyYVQWEGJWWRPRSI-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.11
Rot. Bonds3

About 3-[(dimethylamino)methyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

3-[(dimethylamino)methyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 82530096) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID82530096
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Name3-[(dimethylamino)methyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCN(C)Cc1c(C(=O)O)nc2cc(C(F)(F)F)ccn12
InChIInChI=1S/C12H12F3N3O2/c1-17(2)6-8-10(11(19)20)16-9-5-7(12(13,14)15)3-4-18(8)9/h3-5H,6H2,1-2H3,(H,19,20)
InChIKeyYVQWEGJWWRPRSI-UHFFFAOYSA-N
XLogP2.11
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(dimethylamino)methyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (CID 82530096) is 3-[(dimethylamino)methyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(dimethylamino)methyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(dimethylamino)methyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is CN(C)Cc1c(C(=O)O)nc2cc(C(F)(F)F)ccn12.
What is the InChIKey of 3-[(dimethylamino)methyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is YVQWEGJWWRPRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c1-17(2)6-8-10(11(19)20)16-9-5-7(12(13,14)15)3-4-18(8)9/h3-5H,6H2,1-2H3,(H,19,20).
What are the key properties of 3-[(dimethylamino)methyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
3-[(dimethylamino)methyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 287.24 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 82530096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).