N-(3-methyloxolan-3-yl)-3-nitro-6-(trifluoromethyl)pyridin-2-amine

C11H12F3N3O3 — CID 155102598

IUPACN-(3-methyloxolan-3-yl)-3-nitro-6-(trifluoromethyl)pyridin-2-amine
SMILESCC1(Nc2nc(C(F)(F)F)ccc2[N+](=O)[O-])CCOC1
InChIInChI=1S/C11H12F3N3O3/c1-10(4-5-20-6-10)16-9-7(17(18)19)2-3-8(15-9)11(12,13)14/h2-3H,4-6H2,1H3,(H,15,16)
InChIKeyFPGCIGHKPWBAPB-UHFFFAOYSA-N
MW291.23 g/mol
LogP2.60
Rot. Bonds3

About N-(3-methyloxolan-3-yl)-3-nitro-6-(trifluoromethyl)pyridin-2-amine

N-(3-methyloxolan-3-yl)-3-nitro-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 155102598) has the molecular formula C11H12F3N3O3 and a molecular weight of 291.23 g/mol. Its IUPAC name is N-(3-methyloxolan-3-yl)-3-nitro-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-methyloxolan-3-yl)-3-nitro-6-(trifluoromethyl)pyridin-2-amine
PubChem CID155102598
Molecular FormulaC11H12F3N3O3
Molecular Weight291.23 g/mol
Exact Mass291.08
IUPAC NameN-(3-methyloxolan-3-yl)-3-nitro-6-(trifluoromethyl)pyridin-2-amine
SMILESCC1(Nc2nc(C(F)(F)F)ccc2[N+](=O)[O-])CCOC1
InChIInChI=1S/C11H12F3N3O3/c1-10(4-5-20-6-10)16-9-7(17(18)19)2-3-8(15-9)11(12,13)14/h2-3H,4-6H2,1H3,(H,15,16)
InChIKeyFPGCIGHKPWBAPB-UHFFFAOYSA-N
XLogP2.60
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 52.60
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'}

Analyze N-(3-methyloxolan-3-yl)-3-nitro-6-(trifluoromethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methyloxolan-3-yl)-3-nitro-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(3-methyloxolan-3-yl)-3-nitro-6-(trifluoromethyl)pyridin-2-amine (CID 155102598) is N-(3-methyloxolan-3-yl)-3-nitro-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(3-methyloxolan-3-yl)-3-nitro-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(3-methyloxolan-3-yl)-3-nitro-6-(trifluoromethyl)pyridin-2-amine is CC1(Nc2nc(C(F)(F)F)ccc2[N+](=O)[O-])CCOC1.
What is the InChIKey of N-(3-methyloxolan-3-yl)-3-nitro-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is FPGCIGHKPWBAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O3/c1-10(4-5-20-6-10)16-9-7(17(18)19)2-3-8(15-9)11(12,13)14/h2-3H,4-6H2,1H3,(H,15,16).
What are the key properties of N-(3-methyloxolan-3-yl)-3-nitro-6-(trifluoromethyl)pyridin-2-amine?
N-(3-methyloxolan-3-yl)-3-nitro-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 291.23 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyloxolan-3-yl)-3-nitro-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 155102598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).