5-fluoro-2-(3-methoxy-3-methylazetidin-1-yl)-3-nitropyridine

C10H12FN3O3 — CID 126825767

IUPAC5-fluoro-2-(3-methoxy-3-methylazetidin-1-yl)-3-nitropyridine
SMILESCOC1(C)CN(c2ncc(F)cc2[N+](=O)[O-])C1
InChIInChI=1S/C10H12FN3O3/c1-10(17-2)5-13(6-10)9-8(14(15)16)3-7(11)4-12-9/h3-4H,5-6H2,1-2H3
InChIKeyBJNXRNODBZIIHS-UHFFFAOYSA-N
MW241.22 g/mol
LogP1.35
Rot. Bonds3

About 5-fluoro-2-(3-methoxy-3-methylazetidin-1-yl)-3-nitropyridine

5-fluoro-2-(3-methoxy-3-methylazetidin-1-yl)-3-nitropyridine (PubChem CID 126825767) has the molecular formula C10H12FN3O3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 5-fluoro-2-(3-methoxy-3-methylazetidin-1-yl)-3-nitropyridine.

Molecular Properties

Compound Name5-fluoro-2-(3-methoxy-3-methylazetidin-1-yl)-3-nitropyridine
PubChem CID126825767
Molecular FormulaC10H12FN3O3
Molecular Weight241.22 g/mol
Exact Mass241.09
IUPAC Name5-fluoro-2-(3-methoxy-3-methylazetidin-1-yl)-3-nitropyridine
SMILESCOC1(C)CN(c2ncc(F)cc2[N+](=O)[O-])C1
InChIInChI=1S/C10H12FN3O3/c1-10(17-2)5-13(6-10)9-8(14(15)16)3-7(11)4-12-9/h3-4H,5-6H2,1-2H3
InChIKeyBJNXRNODBZIIHS-UHFFFAOYSA-N
XLogP1.35
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 51.35
H-Bond Donors ≤ 50
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 5-fluoro-2-(3-methoxy-3-methylazetidin-1-yl)-3-nitropyridine with MolForge

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

Launch Full Analysis

Related Compounds

5-fluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 114034557
2-(4,4-difluoropiperidin-1-yl)-5-methyl-3-nitropyridine
CID 142614244
2-chloro-5-fluoro-3-nitropyridine
CID 10773626
4-(3,5-dinitro-2-pyridinyl)-1,1-dimethylpiperazin-1-ium;methyl sulfate
CID 88537966
methyl (3S)-1-(5-bromo-3-nitro-2-pyridinyl)-3-fluoropyrrolidine-3-carboxylate
CID 97321251
1-(5-bromo-3-nitro-2-pyridinyl)-3,3-dimethylpiperazine
CID 82994314
1-(3,5-difluoro-2-pyridinyl)-3-ethylazetidin-3-amine
CID 112676655
5-bromo-2-(4-methoxypiperidin-1-yl)-3-nitropyridine
CID 61375860
5-(5-bromo-3-nitro-2-pyridinyl)-5-azaspiro[2.4]heptane
CID 167947252
4-(3,5-dinitro-2-pyridinyl)morpholine
CID 2847997
6-(2,2-dimethylmorpholin-4-yl)-5-nitropyridine-3-carboxylic acid
CID 81438643
1-(5-bromo-3-nitro-2-pyridinyl)-N,4-dimethylpiperidin-4-amine
CID 115305468

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-methoxy-3-methylazetidin-1-yl)-3-nitropyridine?
The IUPAC name of 5-fluoro-2-(3-methoxy-3-methylazetidin-1-yl)-3-nitropyridine (CID 126825767) is 5-fluoro-2-(3-methoxy-3-methylazetidin-1-yl)-3-nitropyridine.
What is the SMILES notation for 5-fluoro-2-(3-methoxy-3-methylazetidin-1-yl)-3-nitropyridine?
The canonical SMILES for 5-fluoro-2-(3-methoxy-3-methylazetidin-1-yl)-3-nitropyridine is COC1(C)CN(c2ncc(F)cc2[N+](=O)[O-])C1.
What is the InChIKey of 5-fluoro-2-(3-methoxy-3-methylazetidin-1-yl)-3-nitropyridine?
The InChIKey is BJNXRNODBZIIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3/c1-10(17-2)5-13(6-10)9-8(14(15)16)3-7(11)4-12-9/h3-4H,5-6H2,1-2H3.
What are the key properties of 5-fluoro-2-(3-methoxy-3-methylazetidin-1-yl)-3-nitropyridine?
5-fluoro-2-(3-methoxy-3-methylazetidin-1-yl)-3-nitropyridine has a molecular weight of 241.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-methoxy-3-methylazetidin-1-yl)-3-nitropyridine is sourced from PubChem (CID 126825767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).