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

C8H8F3N3O3 — CID 59429814

IUPAC5-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine
SMILESCc1cc([N+](=O)[O-])c(N)nc1OCC(F)(F)F
InChIInChI=1S/C8H8F3N3O3/c1-4-2-5(14(15)16)6(12)13-7(4)17-3-8(9,10)11/h2H,3H2,1H3,(H2,12,13)
InChIKeyACEBGJNPQMCXIK-UHFFFAOYSA-N
MW251.16 g/mol
LogP1.82
Rot. Bonds3

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

5-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine (PubChem CID 59429814) has the molecular formula C8H8F3N3O3 and a molecular weight of 251.16 g/mol. Its IUPAC name is 5-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine
PubChem CID59429814
Molecular FormulaC8H8F3N3O3
Molecular Weight251.16 g/mol
Exact Mass251.05
IUPAC Name5-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine
SMILESCc1cc([N+](=O)[O-])c(N)nc1OCC(F)(F)F
InChIInChI=1S/C8H8F3N3O3/c1-4-2-5(14(15)16)6(12)13-7(4)17-3-8(9,10)11/h2H,3H2,1H3,(H2,12,13)
InChIKeyACEBGJNPQMCXIK-UHFFFAOYSA-N
XLogP1.82
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 51.82
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-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine?
The IUPAC name of 5-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine (CID 59429814) is 5-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine.
What is the SMILES notation for 5-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine?
The canonical SMILES for 5-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine is Cc1cc([N+](=O)[O-])c(N)nc1OCC(F)(F)F.
What is the InChIKey of 5-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine?
The InChIKey is ACEBGJNPQMCXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O3/c1-4-2-5(14(15)16)6(12)13-7(4)17-3-8(9,10)11/h2H,3H2,1H3,(H2,12,13).
What are the key properties of 5-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine?
5-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine has a molecular weight of 251.16 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine is sourced from PubChem (CID 59429814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).