3-nitro-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyridin-2-amine

C10H12F3N3O3 — CID 90427196

IUPAC3-nitro-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCC(C)Oc1ccc([N+](=O)[O-])c(NCC(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O3/c1-6(2)19-8-4-3-7(16(17)18)9(15-8)14-5-10(11,12)13/h3-4,6H,5H2,1-2H3,(H,14,15)
InChIKeyRMTPSGSYODDNJX-UHFFFAOYSA-N
MW279.22 g/mol
LogP2.75
Rot. Bonds5

About 3-nitro-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyridin-2-amine

3-nitro-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 90427196) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is 3-nitro-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-nitro-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID90427196
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC Name3-nitro-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCC(C)Oc1ccc([N+](=O)[O-])c(NCC(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O3/c1-6(2)19-8-4-3-7(16(17)18)9(15-8)14-5-10(11,12)13/h3-4,6H,5H2,1-2H3,(H,14,15)
InChIKeyRMTPSGSYODDNJX-UHFFFAOYSA-N
XLogP2.75
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 52.75
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 3-nitro-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of 3-nitro-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 90427196) is 3-nitro-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for 3-nitro-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for 3-nitro-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyridin-2-amine is CC(C)Oc1ccc([N+](=O)[O-])c(NCC(F)(F)F)n1.
What is the InChIKey of 3-nitro-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is RMTPSGSYODDNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c1-6(2)19-8-4-3-7(16(17)18)9(15-8)14-5-10(11,12)13/h3-4,6H,5H2,1-2H3,(H,14,15).
What are the key properties of 3-nitro-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
3-nitro-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 279.22 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 90427196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).