ethyl 2-hydroxy-6-(trifluoromethyl)-2,3-dihydropyridine-5-carboxylate

C9H10F3NO3 — CID 123966250

IUPACethyl 2-hydroxy-6-(trifluoromethyl)-2,3-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=CCC(O)N=C1C(F)(F)F
InChIInChI=1S/C9H10F3NO3/c1-2-16-8(15)5-3-4-6(14)13-7(5)9(10,11)12/h3,6,14H,2,4H2,1H3
InChIKeyNPJHKIZQWRLNKE-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.20
Rot. Bonds2

About ethyl 2-hydroxy-6-(trifluoromethyl)-2,3-dihydropyridine-5-carboxylate

ethyl 2-hydroxy-6-(trifluoromethyl)-2,3-dihydropyridine-5-carboxylate (PubChem CID 123966250) has the molecular formula C9H10F3NO3 and a molecular weight of 237.18 g/mol. Its IUPAC name is ethyl 2-hydroxy-6-(trifluoromethyl)-2,3-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxy-6-(trifluoromethyl)-2,3-dihydropyridine-5-carboxylate
PubChem CID123966250
Molecular FormulaC9H10F3NO3
Molecular Weight237.18 g/mol
Exact Mass237.06
IUPAC Nameethyl 2-hydroxy-6-(trifluoromethyl)-2,3-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=CCC(O)N=C1C(F)(F)F
InChIInChI=1S/C9H10F3NO3/c1-2-16-8(15)5-3-4-6(14)13-7(5)9(10,11)12/h3,6,14H,2,4H2,1H3
InChIKeyNPJHKIZQWRLNKE-UHFFFAOYSA-N
XLogP1.20
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-6-(trifluoromethyl)-2,3-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 2-hydroxy-6-(trifluoromethyl)-2,3-dihydropyridine-5-carboxylate (CID 123966250) is ethyl 2-hydroxy-6-(trifluoromethyl)-2,3-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 2-hydroxy-6-(trifluoromethyl)-2,3-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 2-hydroxy-6-(trifluoromethyl)-2,3-dihydropyridine-5-carboxylate is CCOC(=O)C1=CCC(O)N=C1C(F)(F)F.
What is the InChIKey of ethyl 2-hydroxy-6-(trifluoromethyl)-2,3-dihydropyridine-5-carboxylate?
The InChIKey is NPJHKIZQWRLNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3/c1-2-16-8(15)5-3-4-6(14)13-7(5)9(10,11)12/h3,6,14H,2,4H2,1H3.
What are the key properties of ethyl 2-hydroxy-6-(trifluoromethyl)-2,3-dihydropyridine-5-carboxylate?
ethyl 2-hydroxy-6-(trifluoromethyl)-2,3-dihydropyridine-5-carboxylate has a molecular weight of 237.18 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-6-(trifluoromethyl)-2,3-dihydropyridine-5-carboxylate is sourced from PubChem (CID 123966250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).