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

C9H8ClF3N2O2 — CID 2768735

IUPAC2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid
SMILESNC(Cc1ncc(C(F)(F)F)cc1Cl)C(=O)O
InChIInChI=1S/C9H8ClF3N2O2/c10-5-1-4(9(11,12)13)3-15-7(5)2-6(14)8(16)17/h1,3,6H,2,14H2,(H,16,17)
InChIKeyGNJOZTJDRGICDI-UHFFFAOYSA-N
MW268.62 g/mol
LogP1.71
Rot. Bonds3

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

2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid (PubChem CID 2768735) has the molecular formula C9H8ClF3N2O2 and a molecular weight of 268.62 g/mol. Its IUPAC name is 2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid
PubChem CID2768735
Molecular FormulaC9H8ClF3N2O2
Molecular Weight268.62 g/mol
Exact Mass268.02
IUPAC Name2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid
SMILESNC(Cc1ncc(C(F)(F)F)cc1Cl)C(=O)O
InChIInChI=1S/C9H8ClF3N2O2/c10-5-1-4(9(11,12)13)3-15-7(5)2-6(14)8(16)17/h1,3,6H,2,14H2,(H,16,17)
InChIKeyGNJOZTJDRGICDI-UHFFFAOYSA-N
XLogP1.71
TPSA76.21 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 ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid?
The IUPAC name of 2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid (CID 2768735) is 2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid?
The canonical SMILES for 2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid is NC(Cc1ncc(C(F)(F)F)cc1Cl)C(=O)O.
What is the InChIKey of 2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid?
The InChIKey is GNJOZTJDRGICDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2O2/c10-5-1-4(9(11,12)13)3-15-7(5)2-6(14)8(16)17/h1,3,6H,2,14H2,(H,16,17).
What are the key properties of 2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid?
2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid has a molecular weight of 268.62 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid is sourced from PubChem (CID 2768735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).