6-methoxy-3-nitro-2-(2-propylimidazol-1-yl)pyridine

C12H14N4O3 — CID 115323542

IUPAC6-methoxy-3-nitro-2-(2-propylimidazol-1-yl)pyridine
SMILESCCCc1nccn1-c1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H14N4O3/c1-3-4-10-13-7-8-15(10)12-9(16(17)18)5-6-11(14-12)19-2/h5-8H,3-4H2,1-2H3
InChIKeyZTPYFNOSDVBPQB-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.14
Rot. Bonds5

About 6-methoxy-3-nitro-2-(2-propylimidazol-1-yl)pyridine

6-methoxy-3-nitro-2-(2-propylimidazol-1-yl)pyridine (PubChem CID 115323542) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 6-methoxy-3-nitro-2-(2-propylimidazol-1-yl)pyridine.

Molecular Properties

Compound Name6-methoxy-3-nitro-2-(2-propylimidazol-1-yl)pyridine
PubChem CID115323542
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name6-methoxy-3-nitro-2-(2-propylimidazol-1-yl)pyridine
SMILESCCCc1nccn1-c1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H14N4O3/c1-3-4-10-13-7-8-15(10)12-9(16(17)18)5-6-11(14-12)19-2/h5-8H,3-4H2,1-2H3
InChIKeyZTPYFNOSDVBPQB-UHFFFAOYSA-N
XLogP2.14
TPSA83.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-methoxy-3-nitro-2-(2-propylimidazol-1-yl)pyridine 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

6-methoxy-3-nitro-2-pyrrol-1-ylpyridine
CID 10560813
6-methoxy-2-(3-methylpyrazol-1-yl)-3-nitropyridine
CID 113287000
1-(3-chloropropyl)-4-(6-methoxy-3-nitro-2-pyridinyl)piperazine
CID 110184367
3-nitro-4-(2-propylimidazol-1-yl)quinoline
CID 103964908
6-methoxy-N-methyl-3-nitro-N-propylpyridin-2-amine
CID 58903907
1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-4-ol
CID 80703735
4-methoxy-6-(2-propylimidazol-1-yl)pyrimidin-2-amine
CID 114053325
2-ethyl-1-(4-nitro-3-propoxyphenyl)imidazole
CID 63812174
[1-(6-methoxy-3-nitro-2-pyridinyl)azepan-2-yl]methanol
CID 116636978
[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-3-yl]methanamine
CID 115323231
1-[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-4-yl]-N-methylmethanamine
CID 115323244
3-ethyl-1-methyl-4-nitro-5-(2-propylimidazol-1-yl)pyrazole
CID 66015885

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-nitro-2-(2-propylimidazol-1-yl)pyridine?
The IUPAC name of 6-methoxy-3-nitro-2-(2-propylimidazol-1-yl)pyridine (CID 115323542) is 6-methoxy-3-nitro-2-(2-propylimidazol-1-yl)pyridine.
What is the SMILES notation for 6-methoxy-3-nitro-2-(2-propylimidazol-1-yl)pyridine?
The canonical SMILES for 6-methoxy-3-nitro-2-(2-propylimidazol-1-yl)pyridine is CCCc1nccn1-c1nc(OC)ccc1[N+](=O)[O-].
What is the InChIKey of 6-methoxy-3-nitro-2-(2-propylimidazol-1-yl)pyridine?
The InChIKey is ZTPYFNOSDVBPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-3-4-10-13-7-8-15(10)12-9(16(17)18)5-6-11(14-12)19-2/h5-8H,3-4H2,1-2H3.
What are the key properties of 6-methoxy-3-nitro-2-(2-propylimidazol-1-yl)pyridine?
6-methoxy-3-nitro-2-(2-propylimidazol-1-yl)pyridine has a molecular weight of 262.27 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-nitro-2-(2-propylimidazol-1-yl)pyridine is sourced from PubChem (CID 115323542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).