2-[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid

C17H17F3N2O3 — CID 71628745

IUPAC2-[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid
SMILESCC(Oc1cccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)c1)C(=O)O
InChIInChI=1S/C17H17F3N2O3/c1-10(16(23)24)25-13-6-4-5-11(7-13)14-8-12(17(18,19)20)9-15(21-14)22(2)3/h4-10H,1-3H3,(H,23,24)
InChIKeyQQWSOLGFMIHLMA-UHFFFAOYSA-N
MW354.33 g/mol
LogP3.69
Rot. Bonds5

About 2-[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid

2-[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid (PubChem CID 71628745) has the molecular formula C17H17F3N2O3 and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid
PubChem CID71628745
Molecular FormulaC17H17F3N2O3
Molecular Weight354.33 g/mol
Exact Mass354.12
IUPAC Name2-[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid
SMILESCC(Oc1cccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)c1)C(=O)O
InChIInChI=1S/C17H17F3N2O3/c1-10(16(23)24)25-13-6-4-5-11(7-13)14-8-12(17(18,19)20)9-15(21-14)22(2)3/h4-10H,1-3H3,(H,23,24)
InChIKeyQQWSOLGFMIHLMA-UHFFFAOYSA-N
XLogP3.69
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid?
The IUPAC name of 2-[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid (CID 71628745) is 2-[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid.
What is the SMILES notation for 2-[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid?
The canonical SMILES for 2-[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid is CC(Oc1cccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)c1)C(=O)O.
What is the InChIKey of 2-[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid?
The InChIKey is QQWSOLGFMIHLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3/c1-10(16(23)24)25-13-6-4-5-11(7-13)14-8-12(17(18,19)20)9-15(21-14)22(2)3/h4-10H,1-3H3,(H,23,24).
What are the key properties of 2-[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid?
2-[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid has a molecular weight of 354.33 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid is sourced from PubChem (CID 71628745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).