methyl 2-fluoro-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate

C14H9F4NO2 — CID 133089873

IUPACmethyl 2-fluoro-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(F)nc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H9F4NO2/c1-21-13(20)9-6-11(19-12(15)7-9)8-2-4-10(5-3-8)14(16,17)18/h2-7H,1H3
InChIKeyLXXJVUOKOBZSBP-UHFFFAOYSA-N
MW299.22 g/mol
LogP3.69
Rot. Bonds2

About methyl 2-fluoro-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate

methyl 2-fluoro-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate (PubChem CID 133089873) has the molecular formula C14H9F4NO2 and a molecular weight of 299.22 g/mol. Its IUPAC name is methyl 2-fluoro-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-fluoro-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
PubChem CID133089873
Molecular FormulaC14H9F4NO2
Molecular Weight299.22 g/mol
Exact Mass299.06
IUPAC Namemethyl 2-fluoro-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(F)nc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H9F4NO2/c1-21-13(20)9-6-11(19-12(15)7-9)8-2-4-10(5-3-8)14(16,17)18/h2-7H,1H3
InChIKeyLXXJVUOKOBZSBP-UHFFFAOYSA-N
XLogP3.69
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2,6-bis[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 134634052
methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate
CID 134634051
methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 44722916
methyl 6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 133089897
methyl 2-fluoro-6-(1-methylpyrazol-4-yl)pyridine-4-carboxylate
CID 139447815
ethane;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 144796191
methyl 6-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
CID 67072130
methyl 4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzoate
CID 45158622
dimethyl 5-[[4-(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylate
CID 4810797
methyl 4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 117222258
methyl 3-nitro-5-[4-(trifluoromethyl)phenyl]benzoate
CID 134630376
methyl 2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoroacetyl)pyridine-4-carboxylate
CID 144796299

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate?
The IUPAC name of methyl 2-fluoro-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate (CID 133089873) is methyl 2-fluoro-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-fluoro-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-fluoro-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate is COC(=O)c1cc(F)nc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of methyl 2-fluoro-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate?
The InChIKey is LXXJVUOKOBZSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4NO2/c1-21-13(20)9-6-11(19-12(15)7-9)8-2-4-10(5-3-8)14(16,17)18/h2-7H,1H3.
What are the key properties of methyl 2-fluoro-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate?
methyl 2-fluoro-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate has a molecular weight of 299.22 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate is sourced from PubChem (CID 133089873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).