5-amino-6-(2,2-difluoroethoxy)pyridine-2-carboxamide

C8H9F2N3O2 — CID 114409165

IUPAC5-amino-6-(2,2-difluoroethoxy)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(N)c(OCC(F)F)n1
InChIInChI=1S/C8H9F2N3O2/c9-6(10)3-15-8-4(11)1-2-5(13-8)7(12)14/h1-2,6H,3,11H2,(H2,12,14)
InChIKeyTYIVBWLNTUBVOG-UHFFFAOYSA-N
MW217.18 g/mol
LogP0.41
Rot. Bonds4

About 5-amino-6-(2,2-difluoroethoxy)pyridine-2-carboxamide

5-amino-6-(2,2-difluoroethoxy)pyridine-2-carboxamide (PubChem CID 114409165) has the molecular formula C8H9F2N3O2 and a molecular weight of 217.18 g/mol. Its IUPAC name is 5-amino-6-(2,2-difluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-(2,2-difluoroethoxy)pyridine-2-carboxamide
PubChem CID114409165
Molecular FormulaC8H9F2N3O2
Molecular Weight217.18 g/mol
Exact Mass217.07
IUPAC Name5-amino-6-(2,2-difluoroethoxy)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(N)c(OCC(F)F)n1
InChIInChI=1S/C8H9F2N3O2/c9-6(10)3-15-8-4(11)1-2-5(13-8)7(12)14/h1-2,6H,3,11H2,(H2,12,14)
InChIKeyTYIVBWLNTUBVOG-UHFFFAOYSA-N
XLogP0.41
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2,2-difluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-(2,2-difluoroethoxy)pyridine-2-carboxamide (CID 114409165) is 5-amino-6-(2,2-difluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-(2,2-difluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-(2,2-difluoroethoxy)pyridine-2-carboxamide is NC(=O)c1ccc(N)c(OCC(F)F)n1.
What is the InChIKey of 5-amino-6-(2,2-difluoroethoxy)pyridine-2-carboxamide?
The InChIKey is TYIVBWLNTUBVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O2/c9-6(10)3-15-8-4(11)1-2-5(13-8)7(12)14/h1-2,6H,3,11H2,(H2,12,14).
What are the key properties of 5-amino-6-(2,2-difluoroethoxy)pyridine-2-carboxamide?
5-amino-6-(2,2-difluoroethoxy)pyridine-2-carboxamide has a molecular weight of 217.18 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2,2-difluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 114409165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).