3-[3-[6-amino-4-(trifluoromethyl)-2-pyridinyl]phenyl]-2,2-dimethylpropanoic acid

C17H17F3N2O2 — CID 156541274

IUPAC3-[3-[6-amino-4-(trifluoromethyl)-2-pyridinyl]phenyl]-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1cccc(-c2cc(C(F)(F)F)cc(N)n2)c1)C(=O)O
InChIInChI=1S/C17H17F3N2O2/c1-16(2,15(23)24)9-10-4-3-5-11(6-10)13-7-12(17(18,19)20)8-14(21)22-13/h3-8H,9H2,1-2H3,(H2,21,22)(H,23,24)
InChIKeyFGOWMEHGWRJRHG-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.00
Rot. Bonds4

About 3-[3-[6-amino-4-(trifluoromethyl)-2-pyridinyl]phenyl]-2,2-dimethylpropanoic acid

3-[3-[6-amino-4-(trifluoromethyl)-2-pyridinyl]phenyl]-2,2-dimethylpropanoic acid (PubChem CID 156541274) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 3-[3-[6-amino-4-(trifluoromethyl)-2-pyridinyl]phenyl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[3-[6-amino-4-(trifluoromethyl)-2-pyridinyl]phenyl]-2,2-dimethylpropanoic acid
PubChem CID156541274
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name3-[3-[6-amino-4-(trifluoromethyl)-2-pyridinyl]phenyl]-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1cccc(-c2cc(C(F)(F)F)cc(N)n2)c1)C(=O)O
InChIInChI=1S/C17H17F3N2O2/c1-16(2,15(23)24)9-10-4-3-5-11(6-10)13-7-12(17(18,19)20)8-14(21)22-13/h3-8H,9H2,1-2H3,(H2,21,22)(H,23,24)
InChIKeyFGOWMEHGWRJRHG-UHFFFAOYSA-N
XLogP4.00
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[6-amino-4-(trifluoromethyl)-2-pyridinyl]phenyl]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[3-[6-amino-4-(trifluoromethyl)-2-pyridinyl]phenyl]-2,2-dimethylpropanoic acid (CID 156541274) is 3-[3-[6-amino-4-(trifluoromethyl)-2-pyridinyl]phenyl]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[3-[6-amino-4-(trifluoromethyl)-2-pyridinyl]phenyl]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[3-[6-amino-4-(trifluoromethyl)-2-pyridinyl]phenyl]-2,2-dimethylpropanoic acid is CC(C)(Cc1cccc(-c2cc(C(F)(F)F)cc(N)n2)c1)C(=O)O.
What is the InChIKey of 3-[3-[6-amino-4-(trifluoromethyl)-2-pyridinyl]phenyl]-2,2-dimethylpropanoic acid?
The InChIKey is FGOWMEHGWRJRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-16(2,15(23)24)9-10-4-3-5-11(6-10)13-7-12(17(18,19)20)8-14(21)22-13/h3-8H,9H2,1-2H3,(H2,21,22)(H,23,24).
What are the key properties of 3-[3-[6-amino-4-(trifluoromethyl)-2-pyridinyl]phenyl]-2,2-dimethylpropanoic acid?
3-[3-[6-amino-4-(trifluoromethyl)-2-pyridinyl]phenyl]-2,2-dimethylpropanoic acid has a molecular weight of 338.33 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[6-amino-4-(trifluoromethyl)-2-pyridinyl]phenyl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 156541274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).