2-amino-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetic acid

C7H4F4N2O2 — CID 135313699

IUPAC2-amino-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetic acid
SMILESNC(C(=O)O)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C7H4F4N2O2/c8-2-1(4(12)7(14)15)3(9)6(11)13-5(2)10/h4H,12H2,(H,14,15)
InChIKeyOEOIBNJEPVCLJQ-UHFFFAOYSA-N
MW224.11 g/mol
LogP0.72
Rot. Bonds2

About 2-amino-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetic acid

2-amino-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetic acid (PubChem CID 135313699) has the molecular formula C7H4F4N2O2 and a molecular weight of 224.11 g/mol. Its IUPAC name is 2-amino-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetic acid
PubChem CID135313699
Molecular FormulaC7H4F4N2O2
Molecular Weight224.11 g/mol
Exact Mass224.02
IUPAC Name2-amino-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetic acid
SMILESNC(C(=O)O)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C7H4F4N2O2/c8-2-1(4(12)7(14)15)3(9)6(11)13-5(2)10/h4H,12H2,(H,14,15)
InChIKeyOEOIBNJEPVCLJQ-UHFFFAOYSA-N
XLogP0.72
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.11
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-2-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)acetic acid
CID 66513035
4-[amino(carboxy)methyl]-2,3,5,6-tetrafluorobenzoic acid
CID 117421018
2-amino-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]propanoic acid
CID 22001835
2-amino-2-(3-bromo-2,5,6-trifluorophenyl)acetic acid
CID 117115132
(1R)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine
CID 55275978
3-(2,3,5,6-tetrafluoro-4-pyridinyl)pentane-2,4-dione
CID 162686696
(2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)acetic acid
CID 130605598
(2S)-2-amino-2-(5-bromo-2,3-difluoro-6-hydroxyphenyl)acetic acid
CID 66513152
2-amino-2-(2,6-difluoro-3-methylsulfanylphenyl)acetic acid
CID 117337661
2-amino-2-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)acetic acid
CID 115033881
(2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid
CID 130640522
2-amino-2-(5,7-difluoro-1H-indol-6-yl)acetic acid
CID 117324730

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetic acid?
The IUPAC name of 2-amino-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetic acid (CID 135313699) is 2-amino-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetic acid.
What is the SMILES notation for 2-amino-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetic acid?
The canonical SMILES for 2-amino-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetic acid is NC(C(=O)O)c1c(F)c(F)nc(F)c1F.
What is the InChIKey of 2-amino-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetic acid?
The InChIKey is OEOIBNJEPVCLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4N2O2/c8-2-1(4(12)7(14)15)3(9)6(11)13-5(2)10/h4H,12H2,(H,14,15).
What are the key properties of 2-amino-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetic acid?
2-amino-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetic acid has a molecular weight of 224.11 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetic acid is sourced from PubChem (CID 135313699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).