3-nitro-6-piperidin-1-ylpyridine-2-carbonitrile

C11H12N4O2 — CID 133499892

IUPAC3-nitro-6-piperidin-1-ylpyridine-2-carbonitrile
SMILESN#Cc1nc(N2CCCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H12N4O2/c12-8-9-10(15(16)17)4-5-11(13-9)14-6-2-1-3-7-14/h4-5H,1-3,6-7H2
InChIKeyLENKSWJENKBBMG-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.85
Rot. Bonds2

About 3-nitro-6-piperidin-1-ylpyridine-2-carbonitrile

3-nitro-6-piperidin-1-ylpyridine-2-carbonitrile (PubChem CID 133499892) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-nitro-6-piperidin-1-ylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-nitro-6-piperidin-1-ylpyridine-2-carbonitrile
PubChem CID133499892
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name3-nitro-6-piperidin-1-ylpyridine-2-carbonitrile
SMILESN#Cc1nc(N2CCCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H12N4O2/c12-8-9-10(15(16)17)4-5-11(13-9)14-6-2-1-3-7-14/h4-5H,1-3,6-7H2
InChIKeyLENKSWJENKBBMG-UHFFFAOYSA-N
XLogP1.85
TPSA83.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.85
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 3-nitro-6-piperidin-1-ylpyridine-2-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

6-(3-aminopiperidin-1-yl)-3-nitropyridine-2-carbonitrile
CID 103472225
6-[4-methyl-4-(methylamino)piperidin-1-yl]-3-nitropyridine-2-carbonitrile
CID 103472568
6-[3-(1-aminoethyl)piperidin-1-yl]-3-nitropyridine-2-carbonitrile
CID 103472343
6-(4-hydroxy-3-methylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile
CID 103473000
6-(2-ethylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile
CID 133499900
6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-nitropyridine-2-carbonitrile
CID 103472601
3-[1-(6-cyano-5-nitro-2-pyridinyl)pyrrolidin-3-yl]propanoic acid
CID 103470056
4-(6-cyano-5-nitro-2-pyridinyl)thiomorpholine-3-carboxylic acid
CID 103470090
6-[2-[(4-chlorophenyl)methyl]piperidin-1-yl]-3-nitropyridine-2-carbonitrile
CID 615756
6-[3-(hydroxymethyl)morpholin-4-yl]-3-nitropyridine-2-carbonitrile
CID 103472986
4-(5-nitro-6-phenyl-2-pyridinyl)-1,4-thiazepane
CID 133409700
6-(2-ethylimidazol-1-yl)-3-nitropyridine-2-carbonitrile
CID 103473397

Frequently Asked Questions

What is the IUPAC name of 3-nitro-6-piperidin-1-ylpyridine-2-carbonitrile?
The IUPAC name of 3-nitro-6-piperidin-1-ylpyridine-2-carbonitrile (CID 133499892) is 3-nitro-6-piperidin-1-ylpyridine-2-carbonitrile.
What is the SMILES notation for 3-nitro-6-piperidin-1-ylpyridine-2-carbonitrile?
The canonical SMILES for 3-nitro-6-piperidin-1-ylpyridine-2-carbonitrile is N#Cc1nc(N2CCCCC2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-nitro-6-piperidin-1-ylpyridine-2-carbonitrile?
The InChIKey is LENKSWJENKBBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c12-8-9-10(15(16)17)4-5-11(13-9)14-6-2-1-3-7-14/h4-5H,1-3,6-7H2.
What are the key properties of 3-nitro-6-piperidin-1-ylpyridine-2-carbonitrile?
3-nitro-6-piperidin-1-ylpyridine-2-carbonitrile has a molecular weight of 232.24 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-6-piperidin-1-ylpyridine-2-carbonitrile is sourced from PubChem (CID 133499892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).