6-nitro-5-(trifluoromethoxy)pyridin-3-amine

C6H4F3N3O3 — CID 19034756

IUPAC6-nitro-5-(trifluoromethoxy)pyridin-3-amine
SMILESNc1cnc([N+](=O)[O-])c(OC(F)(F)F)c1
InChIInChI=1S/C6H4F3N3O3/c7-6(8,9)15-4-1-3(10)2-11-5(4)12(13)14/h1-2H,10H2
InChIKeyRLESXSLXSKKQKB-UHFFFAOYSA-N
MW223.11 g/mol
LogP1.47
Rot. Bonds2

About 6-nitro-5-(trifluoromethoxy)pyridin-3-amine

6-nitro-5-(trifluoromethoxy)pyridin-3-amine (PubChem CID 19034756) has the molecular formula C6H4F3N3O3 and a molecular weight of 223.11 g/mol. Its IUPAC name is 6-nitro-5-(trifluoromethoxy)pyridin-3-amine.

Molecular Properties

Compound Name6-nitro-5-(trifluoromethoxy)pyridin-3-amine
PubChem CID19034756
Molecular FormulaC6H4F3N3O3
Molecular Weight223.11 g/mol
Exact Mass223.02
IUPAC Name6-nitro-5-(trifluoromethoxy)pyridin-3-amine
SMILESNc1cnc([N+](=O)[O-])c(OC(F)(F)F)c1
InChIInChI=1S/C6H4F3N3O3/c7-6(8,9)15-4-1-3(10)2-11-5(4)12(13)14/h1-2H,10H2
InChIKeyRLESXSLXSKKQKB-UHFFFAOYSA-N
XLogP1.47
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 6-nitro-5-(trifluoromethoxy)pyridin-3-amine?
The IUPAC name of 6-nitro-5-(trifluoromethoxy)pyridin-3-amine (CID 19034756) is 6-nitro-5-(trifluoromethoxy)pyridin-3-amine.
What is the SMILES notation for 6-nitro-5-(trifluoromethoxy)pyridin-3-amine?
The canonical SMILES for 6-nitro-5-(trifluoromethoxy)pyridin-3-amine is Nc1cnc([N+](=O)[O-])c(OC(F)(F)F)c1.
What is the InChIKey of 6-nitro-5-(trifluoromethoxy)pyridin-3-amine?
The InChIKey is RLESXSLXSKKQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N3O3/c7-6(8,9)15-4-1-3(10)2-11-5(4)12(13)14/h1-2H,10H2.
What are the key properties of 6-nitro-5-(trifluoromethoxy)pyridin-3-amine?
6-nitro-5-(trifluoromethoxy)pyridin-3-amine has a molecular weight of 223.11 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-5-(trifluoromethoxy)pyridin-3-amine is sourced from PubChem (CID 19034756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).