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

C10H10ClF3N2O2 — CID 43470146

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
SMILESCCC(Nc1ncc(C(F)(F)F)cc1Cl)C(=O)O
InChIInChI=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)
InChIKeyCQXIMRBCKVNDDI-UHFFFAOYSA-N
MW282.65 g/mol
LogP3.03
Rot. Bonds4

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 Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
PubChem CID43470146
Molecular FormulaC10H10ClF3N2O2
Molecular Weight282.65 g/mol
Exact Mass282.04
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
SMILESCCC(Nc1ncc(C(F)(F)F)cc1Cl)C(=O)O
InChIInChI=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)
InChIKeyCQXIMRBCKVNDDI-UHFFFAOYSA-N
XLogP3.03
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 53.03
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]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).