4-amino-5,6-difluoropyridine-2-carboxylic acid

C6H4F2N2O2 — CID 70495785

IUPAC4-amino-5,6-difluoropyridine-2-carboxylic acid
SMILESNc1cc(C(=O)O)nc(F)c1F
InChIInChI=1S/C6H4F2N2O2/c7-4-2(9)1-3(6(11)12)10-5(4)8/h1H,(H2,9,10)(H,11,12)
InChIKeyNDIKZEVBVMRKMC-UHFFFAOYSA-N
MW174.11 g/mol
LogP0.64
Rot. Bonds1

About 4-amino-5,6-difluoropyridine-2-carboxylic acid

4-amino-5,6-difluoropyridine-2-carboxylic acid (PubChem CID 70495785) has the molecular formula C6H4F2N2O2 and a molecular weight of 174.11 g/mol. Its IUPAC name is 4-amino-5,6-difluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-5,6-difluoropyridine-2-carboxylic acid
PubChem CID70495785
Molecular FormulaC6H4F2N2O2
Molecular Weight174.11 g/mol
Exact Mass174.02
IUPAC Name4-amino-5,6-difluoropyridine-2-carboxylic acid
SMILESNc1cc(C(=O)O)nc(F)c1F
InChIInChI=1S/C6H4F2N2O2/c7-4-2(9)1-3(6(11)12)10-5(4)8/h1H,(H2,9,10)(H,11,12)
InChIKeyNDIKZEVBVMRKMC-UHFFFAOYSA-N
XLogP0.64
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.11
LogP ≤ 50.64
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 4-amino-5,6-difluoropyridine-2-carboxylic acid?
The IUPAC name of 4-amino-5,6-difluoropyridine-2-carboxylic acid (CID 70495785) is 4-amino-5,6-difluoropyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-5,6-difluoropyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-5,6-difluoropyridine-2-carboxylic acid is Nc1cc(C(=O)O)nc(F)c1F.
What is the InChIKey of 4-amino-5,6-difluoropyridine-2-carboxylic acid?
The InChIKey is NDIKZEVBVMRKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2N2O2/c7-4-2(9)1-3(6(11)12)10-5(4)8/h1H,(H2,9,10)(H,11,12).
What are the key properties of 4-amino-5,6-difluoropyridine-2-carboxylic acid?
4-amino-5,6-difluoropyridine-2-carboxylic acid has a molecular weight of 174.11 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,6-difluoropyridine-2-carboxylic acid is sourced from PubChem (CID 70495785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).