2-amino-3-(2,5-difluoro-4-pyridinyl)propanoic acid

C8H8F2N2O2 — CID 84670465

IUPAC2-amino-3-(2,5-difluoro-4-pyridinyl)propanoic acid
SMILESNC(Cc1cc(F)ncc1F)C(=O)O
InChIInChI=1S/C8H8F2N2O2/c9-5-3-12-7(10)2-4(5)1-6(11)8(13)14/h2-3,6H,1,11H2,(H,13,14)
InChIKeyGFAOTXJJHWRIQG-UHFFFAOYSA-N
MW202.16 g/mol
LogP0.31
Rot. Bonds3

About 2-amino-3-(2,5-difluoro-4-pyridinyl)propanoic acid

2-amino-3-(2,5-difluoro-4-pyridinyl)propanoic acid (PubChem CID 84670465) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is 2-amino-3-(2,5-difluoro-4-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2,5-difluoro-4-pyridinyl)propanoic acid
PubChem CID84670465
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Name2-amino-3-(2,5-difluoro-4-pyridinyl)propanoic acid
SMILESNC(Cc1cc(F)ncc1F)C(=O)O
InChIInChI=1S/C8H8F2N2O2/c9-5-3-12-7(10)2-4(5)1-6(11)8(13)14/h2-3,6H,1,11H2,(H,13,14)
InChIKeyGFAOTXJJHWRIQG-UHFFFAOYSA-N
XLogP0.31
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 50.31
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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Related Compounds

2-amino-3-(3-fluoro-4-pyridinyl)propanoic acid
CID 55267324
(2S)-2-amino-3-(2-fluoro-4,5-dihydroxyphenyl)propanoic acid;hydrate
CID 66764594
2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
CID 14211589
(2S)-2-amino-3-(2-fluoro-5-iodophenyl)propanoic acid
CID 130612428
(2S)-2-amino-3-(6-fluoro-3-pyridinyl)propanoic acid
CID 10330017
(2R)-2-amino-3-(5-chloro-2-fluoro-3-pyridinyl)propanoic acid
CID 130749995
2-amino-3-(2,5-difluoro-4-methylsulfanylphenyl)propanoic acid
CID 117370022
2-amino-3-(4,6-dichloro-3-pyridinyl)propanoic acid
CID 130041515
(2R)-2-amino-3-(3,5-difluoro-2-pyridinyl)propanoic acid
CID 131055961
2-amino-3-(2,4-difluoro-5-propan-2-ylphenyl)propanoic acid
CID 117359429
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
2-amino-3-(5-fluoro-2,4-dimethylphenyl)propanoic acid
CID 84781647

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,5-difluoro-4-pyridinyl)propanoic acid?
The IUPAC name of 2-amino-3-(2,5-difluoro-4-pyridinyl)propanoic acid (CID 84670465) is 2-amino-3-(2,5-difluoro-4-pyridinyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2,5-difluoro-4-pyridinyl)propanoic acid?
The canonical SMILES for 2-amino-3-(2,5-difluoro-4-pyridinyl)propanoic acid is NC(Cc1cc(F)ncc1F)C(=O)O.
What is the InChIKey of 2-amino-3-(2,5-difluoro-4-pyridinyl)propanoic acid?
The InChIKey is GFAOTXJJHWRIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c9-5-3-12-7(10)2-4(5)1-6(11)8(13)14/h2-3,6H,1,11H2,(H,13,14).
What are the key properties of 2-amino-3-(2,5-difluoro-4-pyridinyl)propanoic acid?
2-amino-3-(2,5-difluoro-4-pyridinyl)propanoic acid has a molecular weight of 202.16 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,5-difluoro-4-pyridinyl)propanoic acid is sourced from PubChem (CID 84670465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).