ethyl 3,5-dichloro-4-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]benzoate

C15H10Cl2F3NO3 — CID 19996506

IUPACethyl 3,5-dichloro-4-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]benzoate
SMILESCCOC(=O)c1cc(Cl)c(-n2ccc(C(F)(F)F)cc2=O)c(Cl)c1
InChIInChI=1S/C15H10Cl2F3NO3/c1-2-24-14(23)8-5-10(16)13(11(17)6-8)21-4-3-9(7-12(21)22)15(18,19)20/h3-7H,2H2,1H3
InChIKeyAHBVNKLNWILAOY-UHFFFAOYSA-N
MW380.15 g/mol
LogP4.34
Rot. Bonds3

About ethyl 3,5-dichloro-4-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]benzoate

ethyl 3,5-dichloro-4-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]benzoate (PubChem CID 19996506) has the molecular formula C15H10Cl2F3NO3 and a molecular weight of 380.15 g/mol. Its IUPAC name is ethyl 3,5-dichloro-4-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]benzoate.

Molecular Properties

Compound Nameethyl 3,5-dichloro-4-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]benzoate
PubChem CID19996506
Molecular FormulaC15H10Cl2F3NO3
Molecular Weight380.15 g/mol
Exact Mass379.00
IUPAC Nameethyl 3,5-dichloro-4-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]benzoate
SMILESCCOC(=O)c1cc(Cl)c(-n2ccc(C(F)(F)F)cc2=O)c(Cl)c1
InChIInChI=1S/C15H10Cl2F3NO3/c1-2-24-14(23)8-5-10(16)13(11(17)6-8)21-4-3-9(7-12(21)22)15(18,19)20/h3-7H,2H2,1H3
InChIKeyAHBVNKLNWILAOY-UHFFFAOYSA-N
XLogP4.34
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.15
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dichloro-4-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]benzoate?
The IUPAC name of ethyl 3,5-dichloro-4-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]benzoate (CID 19996506) is ethyl 3,5-dichloro-4-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]benzoate.
What is the SMILES notation for ethyl 3,5-dichloro-4-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]benzoate?
The canonical SMILES for ethyl 3,5-dichloro-4-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]benzoate is CCOC(=O)c1cc(Cl)c(-n2ccc(C(F)(F)F)cc2=O)c(Cl)c1.
What is the InChIKey of ethyl 3,5-dichloro-4-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]benzoate?
The InChIKey is AHBVNKLNWILAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F3NO3/c1-2-24-14(23)8-5-10(16)13(11(17)6-8)21-4-3-9(7-12(21)22)15(18,19)20/h3-7H,2H2,1H3.
What are the key properties of ethyl 3,5-dichloro-4-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]benzoate?
ethyl 3,5-dichloro-4-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]benzoate has a molecular weight of 380.15 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-dichloro-4-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]benzoate is sourced from PubChem (CID 19996506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).