ethanamine;1-ethyl-4-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid

C17H19F3N2O3 — CID 158956664

IUPACethanamine;1-ethyl-4-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESCCN.CCn1cc(C(=O)O)c(=O)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F3NO3.C2H7N/c1-2-19-8-11(14(21)22)13(20)7-12(19)9-4-3-5-10(6-9)15(16,17)18;1-2-3/h3-8H,2H2,1H3,(H,21,22);2-3H2,1H3
InChIKeyJMBYBSHOWAULKB-UHFFFAOYSA-N
MW356.34 g/mol
LogP3.22
Rot. Bonds3

About ethanamine;1-ethyl-4-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid

ethanamine;1-ethyl-4-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (PubChem CID 158956664) has the molecular formula C17H19F3N2O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is ethanamine;1-ethyl-4-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Nameethanamine;1-ethyl-4-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
PubChem CID158956664
Molecular FormulaC17H19F3N2O3
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC Nameethanamine;1-ethyl-4-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESCCN.CCn1cc(C(=O)O)c(=O)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F3NO3.C2H7N/c1-2-19-8-11(14(21)22)13(20)7-12(19)9-4-3-5-10(6-9)15(16,17)18;1-2-3/h3-8H,2H2,1H3,(H,21,22);2-3H2,1H3
InChIKeyJMBYBSHOWAULKB-UHFFFAOYSA-N
XLogP3.22
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxylic acid
CID 117223527
1-butyl-4-hydroxy-6-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 91157202
2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 87086730
2-methyl-3-[3-(trifluoromethyl)phenyl]benzoic acid
CID 53227606
1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 61264904
4,5-difluoro-2-[3-(trifluoromethyl)phenyl]benzoic acid
CID 118812821
2-methoxy-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 53227617
1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid
CID 117222908
2,4-dioxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxylic acid
CID 115114703
ethane;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 143902946
8-ethyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 3928035
3-ethyl-5-iodo-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid
CID 67133111

Frequently Asked Questions

What is the IUPAC name of ethanamine;1-ethyl-4-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of ethanamine;1-ethyl-4-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (CID 158956664) is ethanamine;1-ethyl-4-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for ethanamine;1-ethyl-4-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for ethanamine;1-ethyl-4-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is CCN.CCn1cc(C(=O)O)c(=O)cc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of ethanamine;1-ethyl-4-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The InChIKey is JMBYBSHOWAULKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3.C2H7N/c1-2-19-8-11(14(21)22)13(20)7-12(19)9-4-3-5-10(6-9)15(16,17)18;1-2-3/h3-8H,2H2,1H3,(H,21,22);2-3H2,1H3.
What are the key properties of ethanamine;1-ethyl-4-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
ethanamine;1-ethyl-4-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid has a molecular weight of 356.34 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;1-ethyl-4-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 158956664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).