2-amino-6-fluoropyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;methane

C15H20F3N3O4 — CID 159262243

IUPAC2-amino-6-fluoropyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;methane
SMILESC.C.C.Nc1nc(F)ccc1C(=O)O.O=C(O)c1ccc(F)nc1F
InChIInChI=1S/C6H3F2NO2.C6H5FN2O2.3CH4/c2*7-4-2-1-3(6(10)11)5(8)9-4;;;/h1-2H,(H,10,11);1-2H,(H2,8,9)(H,10,11);3*1H4
InChIKeyKWQTUBNQUICIBR-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.47
Rot. Bonds2

About 2-amino-6-fluoropyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;methane

2-amino-6-fluoropyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;methane (PubChem CID 159262243) has the molecular formula C15H20F3N3O4 and a molecular weight of 363.34 g/mol. Its IUPAC name is 2-amino-6-fluoropyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;methane.

Molecular Properties

Compound Name2-amino-6-fluoropyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;methane
PubChem CID159262243
Molecular FormulaC15H20F3N3O4
Molecular Weight363.34 g/mol
Exact Mass363.14
IUPAC Name2-amino-6-fluoropyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;methane
SMILESC.C.C.Nc1nc(F)ccc1C(=O)O.O=C(O)c1ccc(F)nc1F
InChIInChI=1S/C6H3F2NO2.C6H5FN2O2.3CH4/c2*7-4-2-1-3(6(10)11)5(8)9-4;;;/h1-2H,(H,10,11);1-2H,(H2,8,9)(H,10,11);3*1H4
InChIKeyKWQTUBNQUICIBR-UHFFFAOYSA-N
XLogP3.47
TPSA126.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 2-amino-6-fluoropyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;methane?
The IUPAC name of 2-amino-6-fluoropyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;methane (CID 159262243) is 2-amino-6-fluoropyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;methane.
What is the SMILES notation for 2-amino-6-fluoropyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;methane?
The canonical SMILES for 2-amino-6-fluoropyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;methane is C.C.C.Nc1nc(F)ccc1C(=O)O.O=C(O)c1ccc(F)nc1F.
What is the InChIKey of 2-amino-6-fluoropyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;methane?
The InChIKey is KWQTUBNQUICIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F2NO2.C6H5FN2O2.3CH4/c2*7-4-2-1-3(6(10)11)5(8)9-4;;;/h1-2H,(H,10,11);1-2H,(H2,8,9)(H,10,11);3*1H4.
What are the key properties of 2-amino-6-fluoropyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;methane?
2-amino-6-fluoropyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;methane has a molecular weight of 363.34 g/mol, XLogP of 3.47, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoropyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;methane is sourced from PubChem (CID 159262243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).