2-[1-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid

C17H12F3N3O3 — CID 90407339

IUPAC2-[1-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H12F3N3O3/c1-23-9-22-14(13-8-11(16(24)25)6-7-21-13)15(23)10-2-4-12(5-3-10)26-17(18,19)20/h2-9H,1H3,(H,24,25)
InChIKeyOTBZGJHFGXDSHF-UHFFFAOYSA-N
MW363.30 g/mol
LogP3.75
Rot. Bonds4

About 2-[1-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid

2-[1-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90407339) has the molecular formula C17H12F3N3O3 and a molecular weight of 363.30 g/mol. Its IUPAC name is 2-[1-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID90407339
Molecular FormulaC17H12F3N3O3
Molecular Weight363.30 g/mol
Exact Mass363.08
IUPAC Name2-[1-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H12F3N3O3/c1-23-9-22-14(13-8-11(16(24)25)6-7-21-13)15(23)10-2-4-12(5-3-10)26-17(18,19)20/h2-9H,1H3,(H,24,25)
InChIKeyOTBZGJHFGXDSHF-UHFFFAOYSA-N
XLogP3.75
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid (CID 90407339) is 2-[1-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid is Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[1-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is OTBZGJHFGXDSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O3/c1-23-9-22-14(13-8-11(16(24)25)6-7-21-13)15(23)10-2-4-12(5-3-10)26-17(18,19)20/h2-9H,1H3,(H,24,25).
What are the key properties of 2-[1-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 363.30 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90407339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).