ethyl 5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate

C15H11ClF3NO3 — CID 66825644

IUPACethyl 5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(Oc2cccc(C(F)(F)F)c2)c(Cl)c1
InChIInChI=1S/C15H11ClF3NO3/c1-2-22-14(21)9-6-12(16)13(20-8-9)23-11-5-3-4-10(7-11)15(17,18)19/h3-8H,2H2,1H3
InChIKeyJVBHUPITTSCCKT-UHFFFAOYSA-N
MW345.70 g/mol
LogP4.72
Rot. Bonds4

About ethyl 5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate

ethyl 5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate (PubChem CID 66825644) has the molecular formula C15H11ClF3NO3 and a molecular weight of 345.70 g/mol. Its IUPAC name is ethyl 5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
PubChem CID66825644
Molecular FormulaC15H11ClF3NO3
Molecular Weight345.70 g/mol
Exact Mass345.04
IUPAC Nameethyl 5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(Oc2cccc(C(F)(F)F)c2)c(Cl)c1
InChIInChI=1S/C15H11ClF3NO3/c1-2-22-14(21)9-6-12(16)13(20-8-9)23-11-5-3-4-10(7-11)15(17,18)19/h3-8H,2H2,1H3
InChIKeyJVBHUPITTSCCKT-UHFFFAOYSA-N
XLogP4.72
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.70
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[3-(trifluoromethyl)phenoxy]benzoate
CID 133056470
ethyl 6-(4-aminophenoxy)-5-chloropyridine-3-carboxylate
CID 121281075
ethyl 4-[3-(trifluoromethyl)phenoxy]benzoate
CID 4268945
ethyl 2-phenyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine-5-carboxylate
CID 1474616
ethyl 2-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate
CID 150465192
[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 3-(trifluoromethyl)benzoate
CID 3706522
5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
CID 81446828
ethyl 5-cyano-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 2786761
ethyl 2-[3-(trifluoromethyl)phenoxy]benzoate
CID 133061108
ethyl 3-[3-(trifluoromethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate
CID 162385369
ethyl 2-propan-2-yl-4-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate
CID 19991840
2-[2-methyl-4-[3-(trifluoromethyl)phenoxy]pyrimidin-5-yl]butanoic acid
CID 139654304

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate (CID 66825644) is ethyl 5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate is CCOC(=O)c1cnc(Oc2cccc(C(F)(F)F)c2)c(Cl)c1.
What is the InChIKey of ethyl 5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate?
The InChIKey is JVBHUPITTSCCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO3/c1-2-22-14(21)9-6-12(16)13(20-8-9)23-11-5-3-4-10(7-11)15(17,18)19/h3-8H,2H2,1H3.
What are the key properties of ethyl 5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate?
ethyl 5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate has a molecular weight of 345.70 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate is sourced from PubChem (CID 66825644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).