2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylic acid

C16H16F3NO4 — CID 56611758

IUPAC2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylic acid
SMILESCC1=NC(C)C(C(=O)O)C(c2ccccc2C(F)(F)F)C1C(=O)O
InChIInChI=1S/C16H16F3NO4/c1-7-11(14(21)22)13(12(15(23)24)8(2)20-7)9-5-3-4-6-10(9)16(17,18)19/h3-7,11-13H,1-2H3,(H,21,22)(H,23,24)
InChIKeyMUNCJNZHGAAPDN-UHFFFAOYSA-N
MW343.30 g/mol
LogP3.05
Rot. Bonds3

About 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylic acid

2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylic acid (PubChem CID 56611758) has the molecular formula C16H16F3NO4 and a molecular weight of 343.30 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylic acid
PubChem CID56611758
Molecular FormulaC16H16F3NO4
Molecular Weight343.30 g/mol
Exact Mass343.10
IUPAC Name2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylic acid
SMILESCC1=NC(C)C(C(=O)O)C(c2ccccc2C(F)(F)F)C1C(=O)O
InChIInChI=1S/C16H16F3NO4/c1-7-11(14(21)22)13(12(15(23)24)8(2)20-7)9-5-3-4-6-10(9)16(17,18)19/h3-7,11-13H,1-2H3,(H,21,22)(H,23,24)
InChIKeyMUNCJNZHGAAPDN-UHFFFAOYSA-N
XLogP3.05
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 3-cyano-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-5-carboxylate
CID 53836632
Diethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylate
CID 54227963
Dimethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylate
CID 54355313
Dibutyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylate
CID 54521563
3-ethyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-4,5-dihydro-2H-pyridine-3,5-dicarboxylic acid
CID 56992940
2-Formyl-3-methoxycarbonyl-6-methyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-5-carboxylic acid
CID 57001235
Diethyl 2-methanethioyl-6-methyl-4-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylate
CID 57017380
Diethyl 2-formyl-6-methyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylate
CID 57023225
2,3,6-trimethyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-2H-pyridine-3,5-dicarboxylic acid
CID 57031822
3-ethyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-4,5-dihydro-2H-pyridine-3,5-dicarboxylic acid
CID 57062525
2,6-Dipropyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3,5-dicarboxylic acid
CID 57115017
methyl 2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,4a,6,8a-tetrahydro-3H-1,7-naphthyridine-3-carboxylate
CID 57119185

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylic acid?
The IUPAC name of 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylic acid (CID 56611758) is 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylic acid is CC1=NC(C)C(C(=O)O)C(c2ccccc2C(F)(F)F)C1C(=O)O.
What is the InChIKey of 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylic acid?
The InChIKey is MUNCJNZHGAAPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO4/c1-7-11(14(21)22)13(12(15(23)24)8(2)20-7)9-5-3-4-6-10(9)16(17,18)19/h3-7,11-13H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylic acid?
2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylic acid has a molecular weight of 343.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 56611758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).