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

C16H14F3NO3 — CID 134204771

IUPACmethyl 2-ethyl-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
SMILESCCc1nc(Oc2ccc(C(F)(F)F)cc2)ccc1C(=O)OC
InChIInChI=1S/C16H14F3NO3/c1-3-13-12(15(21)22-2)8-9-14(20-13)23-11-6-4-10(5-7-11)16(17,18)19/h4-9H,3H2,1-2H3
InChIKeyIHXJBLKLSDDUAD-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.24
Rot. Bonds4

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

methyl 2-ethyl-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate (PubChem CID 134204771) has the molecular formula C16H14F3NO3 and a molecular weight of 325.29 g/mol. Its IUPAC name is methyl 2-ethyl-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
PubChem CID134204771
Molecular FormulaC16H14F3NO3
Molecular Weight325.29 g/mol
Exact Mass325.09
IUPAC Namemethyl 2-ethyl-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
SMILESCCc1nc(Oc2ccc(C(F)(F)F)cc2)ccc1C(=O)OC
InChIInChI=1S/C16H14F3NO3/c1-3-13-12(15(21)22-2)8-9-14(20-13)23-11-6-4-10(5-7-11)16(17,18)19/h4-9H,3H2,1-2H3
InChIKeyIHXJBLKLSDDUAD-UHFFFAOYSA-N
XLogP4.24
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate?
The IUPAC name of methyl 2-ethyl-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate (CID 134204771) is methyl 2-ethyl-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-ethyl-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-ethyl-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate is CCc1nc(Oc2ccc(C(F)(F)F)cc2)ccc1C(=O)OC.
What is the InChIKey of methyl 2-ethyl-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate?
The InChIKey is IHXJBLKLSDDUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3/c1-3-13-12(15(21)22-2)8-9-14(20-13)23-11-6-4-10(5-7-11)16(17,18)19/h4-9H,3H2,1-2H3.
What are the key properties of methyl 2-ethyl-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate?
methyl 2-ethyl-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate has a molecular weight of 325.29 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate is sourced from PubChem (CID 134204771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).