ethyl 6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoropyridine-3-carboxylate

C15H13F4N3O2 — CID 172585675

IUPACethyl 6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoropyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(-c2nc(C(F)(F)F)cn2C2CC2)c(F)c1
InChIInChI=1S/C15H13F4N3O2/c1-2-24-14(23)8-5-10(16)12(20-6-8)13-21-11(15(17,18)19)7-22(13)9-3-4-9/h5-7,9H,2-4H2,1H3
InChIKeyUQCNCFGHYIJPBD-UHFFFAOYSA-N
MW343.28 g/mol
LogP3.61
Rot. Bonds4

About ethyl 6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoropyridine-3-carboxylate

ethyl 6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoropyridine-3-carboxylate (PubChem CID 172585675) has the molecular formula C15H13F4N3O2 and a molecular weight of 343.28 g/mol. Its IUPAC name is ethyl 6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoropyridine-3-carboxylate
PubChem CID172585675
Molecular FormulaC15H13F4N3O2
Molecular Weight343.28 g/mol
Exact Mass343.09
IUPAC Nameethyl 6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoropyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(-c2nc(C(F)(F)F)cn2C2CC2)c(F)c1
InChIInChI=1S/C15H13F4N3O2/c1-2-24-14(23)8-5-10(16)12(20-6-8)13-21-11(15(17,18)19)7-22(13)9-3-4-9/h5-7,9H,2-4H2,1H3
InChIKeyUQCNCFGHYIJPBD-UHFFFAOYSA-N
XLogP3.61
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboxylate
CID 172586617
ethyl 8-fluoroquinoline-3-carboxylate
CID 15525332
ethyl 5-fluoro-6-pyridin-3-ylpyridine-3-carboxylate
CID 46317855
ethyl 5-fluoro-6-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate
CID 68966499
ethyl 6-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 87426687
ethyl 7-(dimethylamino)-6-fluoroquinoline-3-carboxylate
CID 129247650
ethyl 6-fluoro-7-methoxyquinoline-3-carboxylate
CID 129247905
ethyl 6-(4-aminopiperidin-1-yl)-5-chloropyridine-3-carboxylate;dihydrochloride
CID 68842869
ethyl 3-fluoro-4-(trifluoromethyl)benzoate
CID 46311389
2-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]propanoic acid
CID 83851254
ethyl 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 68683222
ethyl 2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxylate
CID 142804810

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoropyridine-3-carboxylate?
The IUPAC name of ethyl 6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoropyridine-3-carboxylate (CID 172585675) is ethyl 6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoropyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoropyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoropyridine-3-carboxylate is CCOC(=O)c1cnc(-c2nc(C(F)(F)F)cn2C2CC2)c(F)c1.
What is the InChIKey of ethyl 6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoropyridine-3-carboxylate?
The InChIKey is UQCNCFGHYIJPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N3O2/c1-2-24-14(23)8-5-10(16)12(20-6-8)13-21-11(15(17,18)19)7-22(13)9-3-4-9/h5-7,9H,2-4H2,1H3.
What are the key properties of ethyl 6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoropyridine-3-carboxylate?
ethyl 6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoropyridine-3-carboxylate has a molecular weight of 343.28 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoropyridine-3-carboxylate is sourced from PubChem (CID 172585675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).