2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid

C10H8F3N3O2 — CID 79868853

IUPAC2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
SMILESCC(Nc1nc(C(F)(F)F)ccc1C#N)C(=O)O
InChIInChI=1S/C10H8F3N3O2/c1-5(9(17)18)15-8-6(4-14)2-3-7(16-8)10(11,12)13/h2-3,5H,1H3,(H,15,16)(H,17,18)
InChIKeyOGCVXDHWLUQXAB-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.86
Rot. Bonds3

About 2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid

2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid (PubChem CID 79868853) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is 2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
PubChem CID79868853
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Name2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
SMILESCC(Nc1nc(C(F)(F)F)ccc1C#N)C(=O)O
InChIInChI=1S/C10H8F3N3O2/c1-5(9(17)18)15-8-6(4-14)2-3-7(16-8)10(11,12)13/h2-3,5H,1H3,(H,15,16)(H,17,18)
InChIKeyOGCVXDHWLUQXAB-UHFFFAOYSA-N
XLogP1.86
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid?
The IUPAC name of 2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid (CID 79868853) is 2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid.
What is the SMILES notation for 2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid?
The canonical SMILES for 2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid is CC(Nc1nc(C(F)(F)F)ccc1C#N)C(=O)O.
What is the InChIKey of 2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid?
The InChIKey is OGCVXDHWLUQXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c1-5(9(17)18)15-8-6(4-14)2-3-7(16-8)10(11,12)13/h2-3,5H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid?
2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid has a molecular weight of 259.19 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid is sourced from PubChem (CID 79868853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).