methyl 5-(4-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate

C20H15F3N2O3 — CID 170701258

IUPACmethyl 5-(4-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Oc2ccc(C(F)(F)F)cc2)c(-c2cc(C)ccn2)c1
InChIInChI=1S/C20H15F3N2O3/c1-12-7-8-24-17(9-12)16-10-13(19(26)27-2)11-25-18(16)28-15-5-3-14(4-6-15)20(21,22)23/h3-11H,1-2H3
InChIKeyGLZKEUVVLFDXSR-UHFFFAOYSA-N
MW388.35 g/mol
LogP5.05
Rot. Bonds4

About methyl 5-(4-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate

methyl 5-(4-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate (PubChem CID 170701258) has the molecular formula C20H15F3N2O3 and a molecular weight of 388.35 g/mol. Its IUPAC name is methyl 5-(4-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
PubChem CID170701258
Molecular FormulaC20H15F3N2O3
Molecular Weight388.35 g/mol
Exact Mass388.10
IUPAC Namemethyl 5-(4-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Oc2ccc(C(F)(F)F)cc2)c(-c2cc(C)ccn2)c1
InChIInChI=1S/C20H15F3N2O3/c1-12-7-8-24-17(9-12)16-10-13(19(26)27-2)11-25-18(16)28-15-5-3-14(4-6-15)20(21,22)23/h3-11H,1-2H3
InChIKeyGLZKEUVVLFDXSR-UHFFFAOYSA-N
XLogP5.05
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.35
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-fluoro-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 146305884
5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
CID 170701180
5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
CID 170701148
methyl 6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 133089897
N-[(2R)-1-hydroxypropan-2-yl]-5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701261
5-(1-methylpyrazol-3-yl)-N-[(3R)-2-oxopyrrolidin-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701268
N-[(2S,3S)-1,3-dihydroxybutan-2-yl]-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701311
methyl 4-[(4-methyl-2-pyridinyl)oxy]benzoate
CID 65018945
N-(1-hydroxypentan-3-yl)-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701047
N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701098
N-[(2R)-1-hydroxypropan-2-yl]-5-(5-methyl-1,3-thiazol-2-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701164
methyl 2-[4-methoxy-6-phenoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyridine-4-carboxylate
CID 162358687

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate?
The IUPAC name of methyl 5-(4-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate (CID 170701258) is methyl 5-(4-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(4-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(4-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate is COC(=O)c1cnc(Oc2ccc(C(F)(F)F)cc2)c(-c2cc(C)ccn2)c1.
What is the InChIKey of methyl 5-(4-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate?
The InChIKey is GLZKEUVVLFDXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O3/c1-12-7-8-24-17(9-12)16-10-13(19(26)27-2)11-25-18(16)28-15-5-3-14(4-6-15)20(21,22)23/h3-11H,1-2H3.
What are the key properties of methyl 5-(4-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate?
methyl 5-(4-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate has a molecular weight of 388.35 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate is sourced from PubChem (CID 170701258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).