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

C₁₀H₁₀ClF₃N₂O₂ — CID 43470146

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

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid (PubChem CID 43470146) has the molecular formula C₁₀H₁₀ClF₃N₂O₂ and a molecular weight of 282.65 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid.

Molecular Properties

• Compound Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
• PubChem CID: 43470146
• Molecular Formula: C₁₀H₁₀ClF₃N₂O₂
• Molecular Weight: 282.65 g/mol
• Exact Mass: 282.04
• IUPAC Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
• SMILES: CCC(Nc1ncc(C(F)(F)F)cc1Cl)C(=O)O
• InChI: InChI=1S/C10H10ClF3N2O2/c1-2-7(9(17)18)16-8-6(11)3-5(4-15-8)10(12,13)14/h3-4,7H,2H2,1H3,(H,15,16)(H,17,18)
• InChIKey: CQXIMRBCKVNDDI-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 62.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	282.65
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid?

The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid (CID 43470146) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid.

What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid?

The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid is CCC(Nc1ncc(C(F)(F)F)cc1Cl)C(=O)O.

What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid?

The InChIKey is CQXIMRBCKVNDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O2/c1-2-7(9(17)18)16-8-6(11)3-5(4-15-8)10(12,13)14/h3-4,7H,2H2,1H3,(H,15,16)(H,17,18).

What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid?

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid has a molecular weight of 282.65 g/mol, XLogP of 3.03, 4 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]butanoic acid is sourced from PubChem (CID 43470146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 43470146 — identifiers, structure, computed properties (public domain)

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