1,4-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid

C10H12F3N3O2 — CID 69203559

IUPAC1,4-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid
SMILESCC1c2nc(C(F)(F)F)n(C)c2CCN1C(=O)O
InChIInChI=1S/C10H12F3N3O2/c1-5-7-6(3-4-16(5)9(17)18)15(2)8(14-7)10(11,12)13/h5H,3-4H2,1-2H3,(H,17,18)
InChIKeyYANRDHDJPJARKU-UHFFFAOYSA-N
MW263.22 g/mol
LogP2.04
Rot. Bonds

About 1,4-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid

1,4-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid (PubChem CID 69203559) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 1,4-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1,4-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid
PubChem CID69203559
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name1,4-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid
SMILESCC1c2nc(C(F)(F)F)n(C)c2CCN1C(=O)O
InChIInChI=1S/C10H12F3N3O2/c1-5-7-6(3-4-16(5)9(17)18)15(2)8(14-7)10(11,12)13/h5H,3-4H2,1-2H3,(H,17,18)
InChIKeyYANRDHDJPJARKU-UHFFFAOYSA-N
XLogP2.04
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid?
The IUPAC name of 1,4-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid (CID 69203559) is 1,4-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 1,4-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid?
The canonical SMILES for 1,4-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid is CC1c2nc(C(F)(F)F)n(C)c2CCN1C(=O)O.
What is the InChIKey of 1,4-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid?
The InChIKey is YANRDHDJPJARKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-5-7-6(3-4-16(5)9(17)18)15(2)8(14-7)10(11,12)13/h5H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 1,4-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid?
1,4-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid has a molecular weight of 263.22 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 69203559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).