2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid

C9H8ClF3N2O2 — CID 43468862

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
SMILESCC(Nc1ncc(C(F)(F)F)cc1Cl)C(=O)O
InChIInChI=1S/C9H8ClF3N2O2/c1-4(8(16)17)15-7-6(10)2-5(3-14-7)9(11,12)13/h2-4H,1H3,(H,14,15)(H,16,17)
InChIKeyPRWJYAIXSYGZSV-UHFFFAOYSA-N
MW268.62 g/mol
LogP2.64
Rot. Bonds3

About 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid (PubChem CID 43468862) has the molecular formula C9H8ClF3N2O2 and a molecular weight of 268.62 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
PubChem CID43468862
Molecular FormulaC9H8ClF3N2O2
Molecular Weight268.62 g/mol
Exact Mass268.02
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
SMILESCC(Nc1ncc(C(F)(F)F)cc1Cl)C(=O)O
InChIInChI=1S/C9H8ClF3N2O2/c1-4(8(16)17)15-7-6(10)2-5(3-14-7)9(11,12)13/h2-4H,1H3,(H,14,15)(H,16,17)
InChIKeyPRWJYAIXSYGZSV-UHFFFAOYSA-N
XLogP2.64
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid (CID 43468862) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid is CC(Nc1ncc(C(F)(F)F)cc1Cl)C(=O)O.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid?
The InChIKey is PRWJYAIXSYGZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2O2/c1-4(8(16)17)15-7-6(10)2-5(3-14-7)9(11,12)13/h2-4H,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid has a molecular weight of 268.62 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid is sourced from PubChem (CID 43468862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).