methyl (4S)-6-methyl-2-oxo-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyridine-5-carboxylate

C14H13F3N2O3 — CID 118700285

About methyl (4S)-6-methyl-2-oxo-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyridine-5-carboxylate

methyl (4S)-6-methyl-2-oxo-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 118700285) has the molecular formula C14H13F3N2O3 and a molecular weight of 314.26 g/mol. Its IUPAC name is methyl (4S)-6-methyl-2-oxo-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

• Compound Name: methyl (4S)-6-methyl-2-oxo-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyridine-5-carboxylate
• PubChem CID: 118700285
• Molecular Formula: C14H13F3N2O3
• Molecular Weight: 314.26 g/mol
• Exact Mass: 314.09
• IUPAC Name: methyl (4S)-6-methyl-2-oxo-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyridine-5-carboxylate
• SMILES: COC(=O)C1=C(C)NC(=O)C[C@H]1c1ccc(C(F)(F)F)nc1
• InChI: InChI=1S/C14H13F3N2O3/c1-7-12(13(21)22-2)9(5-11(20)19-7)8-3-4-10(18-6-8)14(15,16)17/h3-4,6,9H,5H2,1-2H3,(H,19,20)/t9-/m0/s1
• InChIKey: NAVORHOEBJHANX-VIFPVBQESA-N
• XLogP: 2.15
• TPSA: 68.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.26
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-6-methyl-2-oxo-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyridine-5-carboxylate?

The IUPAC name of methyl (4S)-6-methyl-2-oxo-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyridine-5-carboxylate (CID 118700285) is methyl (4S)-6-methyl-2-oxo-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyridine-5-carboxylate.

What is the SMILES notation for methyl (4S)-6-methyl-2-oxo-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyridine-5-carboxylate?

The canonical SMILES for methyl (4S)-6-methyl-2-oxo-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyridine-5-carboxylate is COC(=O)C1=C(C)NC(=O)C[C@H]1c1ccc(C(F)(F)F)nc1.

What is the InChIKey of methyl (4S)-6-methyl-2-oxo-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyridine-5-carboxylate?

The InChIKey is NAVORHOEBJHANX-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13F3N2O3/c1-7-12(13(21)22-2)9(5-11(20)19-7)8-3-4-10(18-6-8)14(15,16)17/h3-4,6,9H,5H2,1-2H3,(H,19,20)/t9-/m0/s1.

What are the key properties of methyl (4S)-6-methyl-2-oxo-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyridine-5-carboxylate?

methyl (4S)-6-methyl-2-oxo-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 314.26 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (4S)-6-methyl-2-oxo-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 118700285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).