1-(3-nitro-2-pyridinyl)piperidine-4-carbonitrile

C11H12N4O2 — CID 2806149

IUPAC1-(3-nitro-2-pyridinyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(c2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C11H12N4O2/c12-8-9-3-6-14(7-4-9)11-10(15(16)17)2-1-5-13-11/h1-2,5,9H,3-4,6-7H2
InChIKeyUEXODVNTPRVAEL-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.73
Rot. Bonds2

About 1-(3-nitro-2-pyridinyl)piperidine-4-carbonitrile

1-(3-nitro-2-pyridinyl)piperidine-4-carbonitrile (PubChem CID 2806149) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-(3-nitro-2-pyridinyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(3-nitro-2-pyridinyl)piperidine-4-carbonitrile
PubChem CID2806149
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name1-(3-nitro-2-pyridinyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(c2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C11H12N4O2/c12-8-9-3-6-14(7-4-9)11-10(15(16)17)2-1-5-13-11/h1-2,5,9H,3-4,6-7H2
InChIKeyUEXODVNTPRVAEL-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
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'}

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Related Compounds

2-methyl-2-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]propanenitrile
CID 60677904
N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]acetamide
CID 49430968
3-(3-nitro-2-pyridinyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 22003999
ethyl 1-(3-nitro-2-pyridinyl)piperidine-4-carboxylate
CID 60631682
4-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]sulfonylbenzonitrile
CID 26437253
1-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]prop-2-yn-1-one
CID 20763897
2-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]sulfonylbenzonitrile
CID 9195567
(1-methylimidazol-2-yl)-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]methanol
CID 133395692
3-nitro-2-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
CID 75397524
(2R)-2-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]azepane-1-carboxamide
CID 95617552
methyl-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]borinic acid
CID 20763912
2-(3,3-difluoropyrrolidin-1-yl)-3-nitropyridine
CID 86811016

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitro-2-pyridinyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(3-nitro-2-pyridinyl)piperidine-4-carbonitrile (CID 2806149) is 1-(3-nitro-2-pyridinyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(3-nitro-2-pyridinyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(3-nitro-2-pyridinyl)piperidine-4-carbonitrile is N#CC1CCN(c2ncccc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-(3-nitro-2-pyridinyl)piperidine-4-carbonitrile?
The InChIKey is UEXODVNTPRVAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c12-8-9-3-6-14(7-4-9)11-10(15(16)17)2-1-5-13-11/h1-2,5,9H,3-4,6-7H2.
What are the key properties of 1-(3-nitro-2-pyridinyl)piperidine-4-carbonitrile?
1-(3-nitro-2-pyridinyl)piperidine-4-carbonitrile has a molecular weight of 232.24 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitro-2-pyridinyl)piperidine-4-carbonitrile is sourced from PubChem (CID 2806149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).