methyl 5-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboxylate

C12H9F4N3O2 — CID 172586617

IUPACmethyl 5-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(-c2nc(C(F)(F)F)cn2C)c(F)c1
InChIInChI=1S/C12H9F4N3O2/c1-19-5-8(12(14,15)16)18-10(19)9-7(13)3-6(4-17-9)11(20)21-2/h3-5H,1-2H3
InChIKeyRMHKTXHKVKGAPF-UHFFFAOYSA-N
MW303.22 g/mol
LogP2.43
Rot. Bonds2

About methyl 5-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboxylate

methyl 5-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboxylate (PubChem CID 172586617) has the molecular formula C12H9F4N3O2 and a molecular weight of 303.22 g/mol. Its IUPAC name is methyl 5-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboxylate
PubChem CID172586617
Molecular FormulaC12H9F4N3O2
Molecular Weight303.22 g/mol
Exact Mass303.06
IUPAC Namemethyl 5-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(-c2nc(C(F)(F)F)cn2C)c(F)c1
InChIInChI=1S/C12H9F4N3O2/c1-19-5-8(12(14,15)16)18-10(19)9-7(13)3-6(4-17-9)11(20)21-2/h3-5H,1-2H3
InChIKeyRMHKTXHKVKGAPF-UHFFFAOYSA-N
XLogP2.43
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-chloro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]benzoate
CID 172585882
ethyl 6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoropyridine-3-carboxylate
CID 172585675
methyl 5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 131871458
methyl 5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]thiophene-2-carboxylate
CID 177269219
methyl 3-fluoro-2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]benzoate
CID 172586392
methyl 5-fluoro-6-isocyanopyridine-3-carboxylate
CID 171417527
methyl 2-(trifluoromethyl)-5H-imidazo[2,1-a]isoindole-7-carboxylate
CID 170973105
methyl 5-fluoro-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 146305884
[2,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
CID 172586154
methyl 3-hydroxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzoate
CID 162378399
2-(4-ethyl-2-fluoro-6-methoxyphenyl)-1-methyl-4-(trifluoromethyl)imidazole
CID 170707221
[3,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
CID 164881273

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 5-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboxylate (CID 172586617) is methyl 5-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboxylate is COC(=O)c1cnc(-c2nc(C(F)(F)F)cn2C)c(F)c1.
What is the InChIKey of methyl 5-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboxylate?
The InChIKey is RMHKTXHKVKGAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4N3O2/c1-19-5-8(12(14,15)16)18-10(19)9-7(13)3-6(4-17-9)11(20)21-2/h3-5H,1-2H3.
What are the key properties of methyl 5-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboxylate?
methyl 5-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboxylate has a molecular weight of 303.22 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboxylate is sourced from PubChem (CID 172586617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).