2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid

C15H14F3NO2 — CID 19988831

IUPAC2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid
SMILESCC1=CC(c2ccccc2C(F)(F)F)C(C(=O)O)=C(C)N1
InChIInChI=1S/C15H14F3NO2/c1-8-7-11(13(14(20)21)9(2)19-8)10-5-3-4-6-12(10)15(16,17)18/h3-7,11,19H,1-2H3,(H,20,21)
InChIKeyAMUUAXOTLZFABN-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.65
Rot. Bonds2

About 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid

2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid (PubChem CID 19988831) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid
PubChem CID19988831
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid
SMILESCC1=CC(c2ccccc2C(F)(F)F)C(C(=O)O)=C(C)N1
InChIInChI=1S/C15H14F3NO2/c1-8-7-11(13(14(20)21)9(2)19-8)10-5-3-4-6-12(10)15(16,17)18/h3-7,11,19H,1-2H3,(H,20,21)
InChIKeyAMUUAXOTLZFABN-UHFFFAOYSA-N
XLogP3.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid?
The IUPAC name of 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid (CID 19988831) is 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid.
What is the SMILES notation for 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid?
The canonical SMILES for 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid is CC1=CC(c2ccccc2C(F)(F)F)C(C(=O)O)=C(C)N1.
What is the InChIKey of 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid?
The InChIKey is AMUUAXOTLZFABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-8-7-11(13(14(20)21)9(2)19-8)10-5-3-4-6-12(10)15(16,17)18/h3-7,11,19H,1-2H3,(H,20,21).
What are the key properties of 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid?
2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid has a molecular weight of 297.28 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid is sourced from PubChem (CID 19988831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).