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

C9H8ClF3N2O2 — CID 1486958

IUPAC(2S)-2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid
SMILESN[C@@H](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)/t6-/m0/s1
InChIKeyGNJOZTJDRGICDI-LURJTMIESA-N
MW268.62 g/mol
LogP1.71
Rot. Bonds3

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

(2S)-2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid (PubChem CID 1486958) has the molecular formula C9H8ClF3N2O2 and a molecular weight of 268.62 g/mol. Its IUPAC name is (2S)-2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid
PubChem CID1486958
Molecular FormulaC9H8ClF3N2O2
Molecular Weight268.62 g/mol
Exact Mass268.02
IUPAC Name(2S)-2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid
SMILESN[C@@H](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)/t6-/m0/s1
InChIKeyGNJOZTJDRGICDI-LURJTMIESA-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 (2S)-2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid (CID 1486958) is (2S)-2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid is N[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid?
The InChIKey is GNJOZTJDRGICDI-LURJTMIESA-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)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid?
(2S)-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 (2S)-2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid is sourced from PubChem (CID 1486958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).