2-azido-6-(trifluoromethyl)pyridine-3-carboxamide

C7H4F3N5O — CID 80583396

IUPAC2-azido-6-(trifluoromethyl)pyridine-3-carboxamide
SMILES[N-]=[N+]=Nc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C7H4F3N5O/c8-7(9,10)4-2-1-3(5(11)16)6(13-4)14-15-12/h1-2H,(H2,11,16)
InChIKeyFOZZGAAEWHVXRA-UHFFFAOYSA-N
MW231.14 g/mol
LogP2.14
Rot. Bonds2

About 2-azido-6-(trifluoromethyl)pyridine-3-carboxamide

2-azido-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 80583396) has the molecular formula C7H4F3N5O and a molecular weight of 231.14 g/mol. Its IUPAC name is 2-azido-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-azido-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID80583396
Molecular FormulaC7H4F3N5O
Molecular Weight231.14 g/mol
Exact Mass231.04
IUPAC Name2-azido-6-(trifluoromethyl)pyridine-3-carboxamide
SMILES[N-]=[N+]=Nc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C7H4F3N5O/c8-7(9,10)4-2-1-3(5(11)16)6(13-4)14-15-12/h1-2H,(H2,11,16)
InChIKeyFOZZGAAEWHVXRA-UHFFFAOYSA-N
XLogP2.14
TPSA104.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.14
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-azido-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-azido-6-(trifluoromethyl)pyridine-3-carboxamide (CID 80583396) is 2-azido-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-azido-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-azido-6-(trifluoromethyl)pyridine-3-carboxamide is [N-]=[N+]=Nc1nc(C(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-azido-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is FOZZGAAEWHVXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N5O/c8-7(9,10)4-2-1-3(5(11)16)6(13-4)14-15-12/h1-2H,(H2,11,16).
What are the key properties of 2-azido-6-(trifluoromethyl)pyridine-3-carboxamide?
2-azido-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 231.14 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 80583396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).