methyl 5-fluoro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate

C14H9F4NO3 — CID 133089142

IUPACmethyl 5-fluoro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(F)cc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H9F4NO3/c1-21-13(20)12-10(6-8(15)7-19-12)9-4-2-3-5-11(9)22-14(16,17)18/h2-7H,1H3
InChIKeyMZCUESXHKBAMOU-UHFFFAOYSA-N
MW315.22 g/mol
LogP3.57
Rot. Bonds3

About methyl 5-fluoro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate

methyl 5-fluoro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate (PubChem CID 133089142) has the molecular formula C14H9F4NO3 and a molecular weight of 315.22 g/mol. Its IUPAC name is methyl 5-fluoro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
PubChem CID133089142
Molecular FormulaC14H9F4NO3
Molecular Weight315.22 g/mol
Exact Mass315.05
IUPAC Namemethyl 5-fluoro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(F)cc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H9F4NO3/c1-21-13(20)12-10(6-8(15)7-19-12)9-4-2-3-5-11(9)22-14(16,17)18/h2-7H,1H3
InChIKeyMZCUESXHKBAMOU-UHFFFAOYSA-N
XLogP3.57
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-methyl-4-[2-(trifluoromethoxy)phenyl]pyrazole-3-carboxylate
CID 170457610
2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089297
methyl 3-(2,4-dichlorophenyl)-5-fluoropyridine-2-carboxylate
CID 133090813
4-fluoro-1-methoxy-2-[2-(trifluoromethoxy)phenyl]benzene
CID 134630084
methyl 5-amino-2-[2-(trifluoromethoxy)phenyl]benzoate
CID 168665377
methyl 4-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate
CID 134635550
methyl 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 134635647
methyl 5-chloro-3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134635499
methyl 3-nitro-4-[2-(trifluoromethoxy)phenyl]benzoate
CID 134634430
methyl 3-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 134663820
2-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134620790
methyl 2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134633894

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-fluoro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate (CID 133089142) is methyl 5-fluoro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-fluoro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-fluoro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate is COC(=O)c1ncc(F)cc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of methyl 5-fluoro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate?
The InChIKey is MZCUESXHKBAMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4NO3/c1-21-13(20)12-10(6-8(15)7-19-12)9-4-2-3-5-11(9)22-14(16,17)18/h2-7H,1H3.
What are the key properties of methyl 5-fluoro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate?
methyl 5-fluoro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate has a molecular weight of 315.22 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 133089142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).