5-amino-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-2-carboxamide

C9H7F6N3O2 — CID 102722562

IUPAC5-amino-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(N)c(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C9H7F6N3O2/c10-8(11,12)7(9(13,14)15)20-6-3(16)1-2-4(18-6)5(17)19/h1-2,7H,16H2,(H2,17,19)
InChIKeyGZTOUBZTQXHTCP-UHFFFAOYSA-N
MW303.16 g/mol
LogP1.63
Rot. Bonds3

About 5-amino-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-2-carboxamide

5-amino-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-2-carboxamide (PubChem CID 102722562) has the molecular formula C9H7F6N3O2 and a molecular weight of 303.16 g/mol. Its IUPAC name is 5-amino-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-2-carboxamide
PubChem CID102722562
Molecular FormulaC9H7F6N3O2
Molecular Weight303.16 g/mol
Exact Mass303.04
IUPAC Name5-amino-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(N)c(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C9H7F6N3O2/c10-8(11,12)7(9(13,14)15)20-6-3(16)1-2-4(18-6)5(17)19/h1-2,7H,16H2,(H2,17,19)
InChIKeyGZTOUBZTQXHTCP-UHFFFAOYSA-N
XLogP1.63
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-2-carboxamide (CID 102722562) is 5-amino-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-2-carboxamide is NC(=O)c1ccc(N)c(OC(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 5-amino-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-2-carboxamide?
The InChIKey is GZTOUBZTQXHTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6N3O2/c10-8(11,12)7(9(13,14)15)20-6-3(16)1-2-4(18-6)5(17)19/h1-2,7H,16H2,(H2,17,19).
What are the key properties of 5-amino-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-2-carboxamide?
5-amino-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-2-carboxamide has a molecular weight of 303.16 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-2-carboxamide is sourced from PubChem (CID 102722562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).