ethyl 4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate

C15H11ClF3NO2 — CID 23537174

IUPACethyl 4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2C(F)(F)F)cc1Cl
InChIInChI=1S/C15H11ClF3NO2/c1-2-22-14(21)10-8-20-13(7-12(10)16)9-5-3-4-6-11(9)15(17,18)19/h3-8H,2H2,1H3
InChIKeyMFGRDKGZZOICDK-UHFFFAOYSA-N
MW329.71 g/mol
LogP4.60
Rot. Bonds3

About ethyl 4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate

ethyl 4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate (PubChem CID 23537174) has the molecular formula C15H11ClF3NO2 and a molecular weight of 329.71 g/mol. Its IUPAC name is ethyl 4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate
PubChem CID23537174
Molecular FormulaC15H11ClF3NO2
Molecular Weight329.71 g/mol
Exact Mass329.04
IUPAC Nameethyl 4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2C(F)(F)F)cc1Cl
InChIInChI=1S/C15H11ClF3NO2/c1-2-22-14(21)10-8-20-13(7-12(10)16)9-5-3-4-6-11(9)15(17,18)19/h3-8H,2H2,1H3
InChIKeyMFGRDKGZZOICDK-UHFFFAOYSA-N
XLogP4.60
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.71
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate (CID 23537174) is ethyl 4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate is CCOC(=O)c1cnc(-c2ccccc2C(F)(F)F)cc1Cl.
What is the InChIKey of ethyl 4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
The InChIKey is MFGRDKGZZOICDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO2/c1-2-22-14(21)10-8-20-13(7-12(10)16)9-5-3-4-6-11(9)15(17,18)19/h3-8H,2H2,1H3.
What are the key properties of ethyl 4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
ethyl 4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate has a molecular weight of 329.71 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate is sourced from PubChem (CID 23537174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).