methyl 5-fluoro-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate

C14H9F4NO3 — CID 146305884

IUPACmethyl 5-fluoro-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Oc2ccc(C(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C14H9F4NO3/c1-21-13(20)8-6-11(15)12(19-7-8)22-10-4-2-9(3-5-10)14(16,17)18/h2-7H,1H3
InChIKeyIVIRFELGBBTGRT-UHFFFAOYSA-N
MW315.22 g/mol
LogP3.82
Rot. Bonds3

About methyl 5-fluoro-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate

methyl 5-fluoro-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate (PubChem CID 146305884) has the molecular formula C14H9F4NO3 and a molecular weight of 315.22 g/mol. Its IUPAC name is methyl 5-fluoro-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
PubChem CID146305884
Molecular FormulaC14H9F4NO3
Molecular Weight315.22 g/mol
Exact Mass315.05
IUPAC Namemethyl 5-fluoro-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Oc2ccc(C(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C14H9F4NO3/c1-21-13(20)8-6-11(15)12(19-7-8)22-10-4-2-9(3-5-10)14(16,17)18/h2-7H,1H3
InChIKeyIVIRFELGBBTGRT-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-fluoro-6-[4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]pyridine-3-carboxylate
CID 146325743
methyl 5-(4-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 170701258
methyl 6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 133089897
methyl 5-fluoro-6-[4-(2-tricyclo[3.3.1.03,7]nonanyl)phenoxy]pyridine-3-carboxylate
CID 142414927
1-[5-fluoro-6-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]-3-pyridinyl]propan-1-one
CID 158413383
methyl 5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 131871458
(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 141423376
methyl 3-fluoro-4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzoate
CID 142415335
5-fluoro-6-(4-propan-2-ylphenoxy)pyridine-3-carboxamide
CID 146305979
5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
CID 170701180
[5-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]-2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]boronic acid
CID 170701106
5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
CID 170701148

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate?
The IUPAC name of methyl 5-fluoro-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate (CID 146305884) is methyl 5-fluoro-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-fluoro-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-fluoro-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate is COC(=O)c1cnc(Oc2ccc(C(F)(F)F)cc2)c(F)c1.
What is the InChIKey of methyl 5-fluoro-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate?
The InChIKey is IVIRFELGBBTGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4NO3/c1-21-13(20)8-6-11(15)12(19-7-8)22-10-4-2-9(3-5-10)14(16,17)18/h2-7H,1H3.
What are the key properties of methyl 5-fluoro-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate?
methyl 5-fluoro-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate has a molecular weight of 315.22 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate is sourced from PubChem (CID 146305884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).