5-nitro-6-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile

C11H12N4O3 — CID 103473285

IUPAC5-nitro-6-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cnc(OCC2CCNC2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H12N4O3/c12-4-9-3-10(15(16)17)11(14-6-9)18-7-8-1-2-13-5-8/h3,6,8,13H,1-2,5,7H2
InChIKeyFCJZESFXRDPUMC-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.85
Rot. Bonds4

About 5-nitro-6-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile

5-nitro-6-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile (PubChem CID 103473285) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 5-nitro-6-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-nitro-6-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile
PubChem CID103473285
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name5-nitro-6-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cnc(OCC2CCNC2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H12N4O3/c12-4-9-3-10(15(16)17)11(14-6-9)18-7-8-1-2-13-5-8/h3,6,8,13H,1-2,5,7H2
InChIKeyFCJZESFXRDPUMC-UHFFFAOYSA-N
XLogP0.85
TPSA101.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
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 5-nitro-6-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile 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-methyl-3-nitro-2-(piperidin-3-ylmethoxy)pyridine
CID 66277883
6-[(6,6-dimethylmorpholin-2-yl)methoxy]-5-nitropyridine-3-carbonitrile
CID 103473350
3-[(2,4-dinitrophenoxy)methyl]pyrrolidine
CID 62370512
6-(3-aminocyclobutyl)oxy-5-nitropyridine-3-carbonitrile
CID 103473325
6-nitro-4-(pyrrolidin-3-ylmethoxy)quinazoline
CID 64588096
6-(cyclobutylmethylamino)-5-nitropyridine-3-carbonitrile
CID 103471221
3-[(3-methyl-4-nitrophenoxy)methyl]pyrrolidine
CID 56830431
6-(azepan-3-ylamino)-5-nitropyridine-3-carbonitrile
CID 103472329
5-nitro-6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile
CID 103473272
5-bromo-2-(cyclobutylmethoxy)-3-nitropyridine
CID 45158681
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-nitropyridine-3-carbonitrile
CID 103472456
4-methyl-5-nitro-2-(piperidin-3-ylmethoxy)pyridine
CID 79176367

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-nitro-6-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile (CID 103473285) is 5-nitro-6-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-nitro-6-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-nitro-6-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile is N#Cc1cnc(OCC2CCNC2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-nitro-6-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile?
The InChIKey is FCJZESFXRDPUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c12-4-9-3-10(15(16)17)11(14-6-9)18-7-8-1-2-13-5-8/h3,6,8,13H,1-2,5,7H2.
What are the key properties of 5-nitro-6-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile?
5-nitro-6-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile has a molecular weight of 248.24 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 103473285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).