4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzoic acid

C15H13F3N2O2 — CID 56832328

IUPAC4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzoic acid
SMILESCN(C)c1cc(C(F)(F)F)cc(-c2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C15H13F3N2O2/c1-20(2)13-8-11(15(16,17)18)7-12(19-13)9-3-5-10(6-4-9)14(21)22/h3-8H,1-2H3,(H,21,22)
InChIKeyCBEIZKWGLSBXSD-UHFFFAOYSA-N
MW310.28 g/mol
LogP3.53
Rot. Bonds3

About 4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzoic acid

4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzoic acid (PubChem CID 56832328) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzoic acid.

Molecular Properties

Compound Name4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzoic acid
PubChem CID56832328
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC Name4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzoic acid
SMILESCN(C)c1cc(C(F)(F)F)cc(-c2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C15H13F3N2O2/c1-20(2)13-8-11(15(16,17)18)7-12(19-13)9-3-5-10(6-4-9)14(21)22/h3-8H,1-2H3,(H,21,22)
InChIKeyCBEIZKWGLSBXSD-UHFFFAOYSA-N
XLogP3.53
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzoic acid?
The IUPAC name of 4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzoic acid (CID 56832328) is 4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzoic acid.
What is the SMILES notation for 4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzoic acid?
The canonical SMILES for 4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzoic acid is CN(C)c1cc(C(F)(F)F)cc(-c2ccc(C(=O)O)cc2)n1.
What is the InChIKey of 4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzoic acid?
The InChIKey is CBEIZKWGLSBXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-20(2)13-8-11(15(16,17)18)7-12(19-13)9-3-5-10(6-4-9)14(21)22/h3-8H,1-2H3,(H,21,22).
What are the key properties of 4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzoic acid?
4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzoic acid has a molecular weight of 310.28 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzoic acid is sourced from PubChem (CID 56832328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).