methyl 6-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-3-carboxylate

C11H8F3N3O2 — CID 122554513

IUPACmethyl 6-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ncc(C(F)(F)F)[nH]2)nc1
InChIInChI=1S/C11H8F3N3O2/c1-19-10(18)6-2-3-7(15-4-6)9-16-5-8(17-9)11(12,13)14/h2-5H,1H3,(H,16,17)
InChIKeyUZSULKAGXPBGSC-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.28
Rot. Bonds2

About methyl 6-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-3-carboxylate

methyl 6-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-3-carboxylate (PubChem CID 122554513) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is methyl 6-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-3-carboxylate
PubChem CID122554513
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC Namemethyl 6-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ncc(C(F)(F)F)[nH]2)nc1
InChIInChI=1S/C11H8F3N3O2/c1-19-10(18)6-2-3-7(15-4-6)9-16-5-8(17-9)11(12,13)14/h2-5H,1H3,(H,16,17)
InChIKeyUZSULKAGXPBGSC-UHFFFAOYSA-N
XLogP2.28
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-fluoro-5-methoxy-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzoate
CID 170973151
methyl 6-[5-[3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]pyridine-3-carboxylate
CID 68724468
methyl 6-(5-amino-2-pyridinyl)pyridine-3-carboxylate
CID 10633160
methyl 6-(1H-pyrazol-4-yl)pyridine-3-carboxylate
CID 126673838
methyl (2S)-2-amino-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]acetate
CID 102970456
methyl 6-(5-hydroxy-1H-indol-2-yl)pyridine-3-carboxylate
CID 24896604
methyl 2-(5-bromo-2-pyridinyl)-1H-imidazole-5-carboxylate
CID 91048260
methyl 6-(dibromomethyl)pyridine-3-carboxylate;hydrochloride
CID 146048625
6-(5-carboxy-2-pyridinyl)pyridine-3-carboxylic acid;methyl 6-(5-acetyl-2-pyridinyl)pyridine-3-carboxylate;thionyl dichloride
CID 157147415
methyl 2-(trifluoromethyl)-1H-indole-6-carboxylate
CID 73425268
6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid
CID 53223675
methyl 6-[[(1R)-2,2,2-trifluoro-1-phenylethyl]carbamoyl]pyridine-3-carboxylate
CID 95234467

Frequently Asked Questions

What is the IUPAC name of methyl 6-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-3-carboxylate (CID 122554513) is methyl 6-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-3-carboxylate is COC(=O)c1ccc(-c2ncc(C(F)(F)F)[nH]2)nc1.
What is the InChIKey of methyl 6-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-3-carboxylate?
The InChIKey is UZSULKAGXPBGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c1-19-10(18)6-2-3-7(15-4-6)9-16-5-8(17-9)11(12,13)14/h2-5H,1H3,(H,16,17).
What are the key properties of methyl 6-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-3-carboxylate?
methyl 6-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-3-carboxylate has a molecular weight of 271.20 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-3-carboxylate is sourced from PubChem (CID 122554513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).