methyl 5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate

C14H9F4NO2 — CID 131871458

IUPACmethyl 5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(-c2cccc(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C14H9F4NO2/c1-21-13(20)9-6-11(15)12(19-7-9)8-3-2-4-10(5-8)14(16,17)18/h2-7H,1H3
InChIKeyMOBZKCJYRLDKIO-UHFFFAOYSA-N
MW299.22 g/mol
LogP3.69
Rot. Bonds2

About methyl 5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate

methyl 5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate (PubChem CID 131871458) has the molecular formula C14H9F4NO2 and a molecular weight of 299.22 g/mol. Its IUPAC name is methyl 5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
PubChem CID131871458
Molecular FormulaC14H9F4NO2
Molecular Weight299.22 g/mol
Exact Mass299.06
IUPAC Namemethyl 5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(-c2cccc(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C14H9F4NO2/c1-21-13(20)9-6-11(15)12(19-7-9)8-3-2-4-10(5-8)14(16,17)18/h2-7H,1H3
InChIKeyMOBZKCJYRLDKIO-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

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Related Compounds

methyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 134635398
methyl 4-[3-(trifluoromethyl)phenyl]benzoate
CID 1393419
methyl 4-methyl-3-[3-(trifluoromethyl)phenyl]benzoate
CID 67169724
ethyl 2-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate
CID 150465192
methyl 2-fluoro-5-[3-(trifluoromethyl)phenyl]benzoate
CID 75488127
methyl 3-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134634607
methyl 5-fluoro-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 146305884
methyl 6-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 133089907
methyl 5-chloro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134635513
methyl 2-[3-(trifluoromethyl)phenyl]benzoate
CID 1393351
methyl 6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 133089897
methyl 2-amino-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 134634074

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
The IUPAC name of methyl 5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate (CID 131871458) is methyl 5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate is COC(=O)c1cnc(-c2cccc(C(F)(F)F)c2)c(F)c1.
What is the InChIKey of methyl 5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
The InChIKey is MOBZKCJYRLDKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4NO2/c1-21-13(20)9-6-11(15)12(19-7-9)8-3-2-4-10(5-8)14(16,17)18/h2-7H,1H3.
What are the key properties of methyl 5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
methyl 5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-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 5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate is sourced from PubChem (CID 131871458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).