5-bromo-N-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine

C8H7BrF3N3O3 — CID 67356808

IUPAC5-bromo-N-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine
SMILESCNc1nc(OCC(F)(F)F)c(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C8H7BrF3N3O3/c1-13-6-5(15(16)17)2-4(9)7(14-6)18-3-8(10,11)12/h2H,3H2,1H3,(H,13,14)
InChIKeyBFFRXFNEEFESQL-UHFFFAOYSA-N
MW330.06 g/mol
LogP2.74
Rot. Bonds4

About 5-bromo-N-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine

5-bromo-N-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine (PubChem CID 67356808) has the molecular formula C8H7BrF3N3O3 and a molecular weight of 330.06 g/mol. Its IUPAC name is 5-bromo-N-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine
PubChem CID67356808
Molecular FormulaC8H7BrF3N3O3
Molecular Weight330.06 g/mol
Exact Mass328.96
IUPAC Name5-bromo-N-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine
SMILESCNc1nc(OCC(F)(F)F)c(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C8H7BrF3N3O3/c1-13-6-5(15(16)17)2-4(9)7(14-6)18-3-8(10,11)12/h2H,3H2,1H3,(H,13,14)
InChIKeyBFFRXFNEEFESQL-UHFFFAOYSA-N
XLogP2.74
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.06
LogP ≤ 52.74
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 5-bromo-N-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine?
The IUPAC name of 5-bromo-N-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine (CID 67356808) is 5-bromo-N-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine is CNc1nc(OCC(F)(F)F)c(Br)cc1[N+](=O)[O-].
What is the InChIKey of 5-bromo-N-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine?
The InChIKey is BFFRXFNEEFESQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3N3O3/c1-13-6-5(15(16)17)2-4(9)7(14-6)18-3-8(10,11)12/h2H,3H2,1H3,(H,13,14).
What are the key properties of 5-bromo-N-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine?
5-bromo-N-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine has a molecular weight of 330.06 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine is sourced from PubChem (CID 67356808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).