(2R)-2-amino-3-(5-chloro-2-fluoro-3-pyridinyl)propanoic acid

C8H8ClFN2O2 — CID 130749995

IUPAC(2R)-2-amino-3-(5-chloro-2-fluoro-3-pyridinyl)propanoic acid
SMILESN[C@H](Cc1cc(Cl)cnc1F)C(=O)O
InChIInChI=1S/C8H8ClFN2O2/c9-5-1-4(7(10)12-3-5)2-6(11)8(13)14/h1,3,6H,2,11H2,(H,13,14)/t6-/m1/s1
InChIKeyXGRAHPFQXRVKJA-ZCFIWIBFSA-N
MW218.62 g/mol
LogP0.83
Rot. Bonds3

About (2R)-2-amino-3-(5-chloro-2-fluoro-3-pyridinyl)propanoic acid

(2R)-2-amino-3-(5-chloro-2-fluoro-3-pyridinyl)propanoic acid (PubChem CID 130749995) has the molecular formula C8H8ClFN2O2 and a molecular weight of 218.62 g/mol. Its IUPAC name is (2R)-2-amino-3-(5-chloro-2-fluoro-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(5-chloro-2-fluoro-3-pyridinyl)propanoic acid
PubChem CID130749995
Molecular FormulaC8H8ClFN2O2
Molecular Weight218.62 g/mol
Exact Mass218.03
IUPAC Name(2R)-2-amino-3-(5-chloro-2-fluoro-3-pyridinyl)propanoic acid
SMILESN[C@H](Cc1cc(Cl)cnc1F)C(=O)O
InChIInChI=1S/C8H8ClFN2O2/c9-5-1-4(7(10)12-3-5)2-6(11)8(13)14/h1,3,6H,2,11H2,(H,13,14)/t6-/m1/s1
InChIKeyXGRAHPFQXRVKJA-ZCFIWIBFSA-N
XLogP0.83
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.62
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(5-chloro-2-fluoro-3-pyridinyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(5-chloro-2-fluoro-3-pyridinyl)propanoic acid (CID 130749995) is (2R)-2-amino-3-(5-chloro-2-fluoro-3-pyridinyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(5-chloro-2-fluoro-3-pyridinyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(5-chloro-2-fluoro-3-pyridinyl)propanoic acid is N[C@H](Cc1cc(Cl)cnc1F)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(5-chloro-2-fluoro-3-pyridinyl)propanoic acid?
The InChIKey is XGRAHPFQXRVKJA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H8ClFN2O2/c9-5-1-4(7(10)12-3-5)2-6(11)8(13)14/h1,3,6H,2,11H2,(H,13,14)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-3-(5-chloro-2-fluoro-3-pyridinyl)propanoic acid?
(2R)-2-amino-3-(5-chloro-2-fluoro-3-pyridinyl)propanoic acid has a molecular weight of 218.62 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(5-chloro-2-fluoro-3-pyridinyl)propanoic acid is sourced from PubChem (CID 130749995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).