amino 5,6-difluoropyridine-2-carboxylate

C6H4F2N2O2 — CID 174695811

IUPACamino 5,6-difluoropyridine-2-carboxylate
SMILESNOC(=O)c1ccc(F)c(F)n1
InChIInChI=1S/C6H4F2N2O2/c7-3-1-2-4(6(11)12-9)10-5(3)8/h1-2H,9H2
InChIKeyFHJAFQDVLZNXAO-UHFFFAOYSA-N
MW174.11 g/mol
LogP0.39
Rot. Bonds1

About amino 5,6-difluoropyridine-2-carboxylate

amino 5,6-difluoropyridine-2-carboxylate (PubChem CID 174695811) has the molecular formula C6H4F2N2O2 and a molecular weight of 174.11 g/mol. Its IUPAC name is amino 5,6-difluoropyridine-2-carboxylate.

Molecular Properties

Compound Nameamino 5,6-difluoropyridine-2-carboxylate
PubChem CID174695811
Molecular FormulaC6H4F2N2O2
Molecular Weight174.11 g/mol
Exact Mass174.02
IUPAC Nameamino 5,6-difluoropyridine-2-carboxylate
SMILESNOC(=O)c1ccc(F)c(F)n1
InChIInChI=1S/C6H4F2N2O2/c7-3-1-2-4(6(11)12-9)10-5(3)8/h1-2H,9H2
InChIKeyFHJAFQDVLZNXAO-UHFFFAOYSA-N
XLogP0.39
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.11
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino 5,6-difluoropyridine-2-carboxylate?
The IUPAC name of amino 5,6-difluoropyridine-2-carboxylate (CID 174695811) is amino 5,6-difluoropyridine-2-carboxylate.
What is the SMILES notation for amino 5,6-difluoropyridine-2-carboxylate?
The canonical SMILES for amino 5,6-difluoropyridine-2-carboxylate is NOC(=O)c1ccc(F)c(F)n1.
What is the InChIKey of amino 5,6-difluoropyridine-2-carboxylate?
The InChIKey is FHJAFQDVLZNXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2N2O2/c7-3-1-2-4(6(11)12-9)10-5(3)8/h1-2H,9H2.
What are the key properties of amino 5,6-difluoropyridine-2-carboxylate?
amino 5,6-difluoropyridine-2-carboxylate has a molecular weight of 174.11 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 5,6-difluoropyridine-2-carboxylate is sourced from PubChem (CID 174695811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).