3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]pyridine-2-carboxylic acid

C11H9F2N3O3 — CID 61380348

IUPAC3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCc1nccn1C(F)F
InChIInChI=1S/C11H9F2N3O3/c12-11(13)16-5-4-14-8(16)6-19-7-2-1-3-15-9(7)10(17)18/h1-5,11H,6H2,(H,17,18)
InChIKeyRIXDVJNSAANCNM-UHFFFAOYSA-N
MW269.21 g/mol
LogP1.95
Rot. Bonds5

About 3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]pyridine-2-carboxylic acid

3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]pyridine-2-carboxylic acid (PubChem CID 61380348) has the molecular formula C11H9F2N3O3 and a molecular weight of 269.21 g/mol. Its IUPAC name is 3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]pyridine-2-carboxylic acid
PubChem CID61380348
Molecular FormulaC11H9F2N3O3
Molecular Weight269.21 g/mol
Exact Mass269.06
IUPAC Name3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCc1nccn1C(F)F
InChIInChI=1S/C11H9F2N3O3/c12-11(13)16-5-4-14-8(16)6-19-7-2-1-3-15-9(7)10(17)18/h1-5,11H,6H2,(H,17,18)
InChIKeyRIXDVJNSAANCNM-UHFFFAOYSA-N
XLogP1.95
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]pyridine-2-carboxylic acid (CID 61380348) is 3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]pyridine-2-carboxylic acid is O=C(O)c1ncccc1OCc1nccn1C(F)F.
What is the InChIKey of 3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]pyridine-2-carboxylic acid?
The InChIKey is RIXDVJNSAANCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O3/c12-11(13)16-5-4-14-8(16)6-19-7-2-1-3-15-9(7)10(17)18/h1-5,11H,6H2,(H,17,18).
What are the key properties of 3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]pyridine-2-carboxylic acid?
3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]pyridine-2-carboxylic acid has a molecular weight of 269.21 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 61380348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).