ethane;2-nitro-5-piperidin-1-ylpyridine

C12H19N3O2 — CID 142329897

IUPACethane;2-nitro-5-piperidin-1-ylpyridine
SMILESCC.O=[N+]([O-])c1ccc(N2CCCCC2)cn1
InChIInChI=1S/C10H13N3O2.C2H6/c14-13(15)10-5-4-9(8-11-10)12-6-2-1-3-7-12;1-2/h4-5,8H,1-3,6-7H2;1-2H3
InChIKeyHBKNJVOTBAJQOU-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.01
Rot. Bonds2

About ethane;2-nitro-5-piperidin-1-ylpyridine

ethane;2-nitro-5-piperidin-1-ylpyridine (PubChem CID 142329897) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethane;2-nitro-5-piperidin-1-ylpyridine.

Molecular Properties

Compound Nameethane;2-nitro-5-piperidin-1-ylpyridine
PubChem CID142329897
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nameethane;2-nitro-5-piperidin-1-ylpyridine
SMILESCC.O=[N+]([O-])c1ccc(N2CCCCC2)cn1
InChIInChI=1S/C10H13N3O2.C2H6/c14-13(15)10-5-4-9(8-11-10)12-6-2-1-3-7-12;1-2/h4-5,8H,1-3,6-7H2;1-2H3
InChIKeyHBKNJVOTBAJQOU-UHFFFAOYSA-N
XLogP3.01
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

6-(6-nitro-3-pyridinyl)-6-azaspiro[2.5]octane
CID 122520396
1-(6-nitro-3-pyridinyl)piperidin-3-ol
CID 60631861
3,3,5,5-tetradeuterio-1-(6-nitro-3-pyridinyl)piperazine
CID 162640866
4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]benzonitrile
CID 154640970
5-(6-nitro-3-pyridinyl)-5-azaspiro[2.4]heptane
CID 118348190
5-(3,5-dimethylpiperidin-1-yl)-2-nitropyridine
CID 4780110
[4-(6-nitro-3-pyridinyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone
CID 47045156
1-(6-nitro-3-pyridinyl)-4-(trifluoromethyl)piperidin-4-ol
CID 142494258
methyl 2-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]acetate
CID 47027590
2,2,2-trichloro-1-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]ethanone
CID 28526793
1-(3-fluoropropyl)-4-(6-nitro-3-pyridinyl)piperazine
CID 121001014
3,3-dimethyl-1-(6-nitro-3-pyridinyl)piperazine
CID 82994580

Frequently Asked Questions

What is the IUPAC name of ethane;2-nitro-5-piperidin-1-ylpyridine?
The IUPAC name of ethane;2-nitro-5-piperidin-1-ylpyridine (CID 142329897) is ethane;2-nitro-5-piperidin-1-ylpyridine.
What is the SMILES notation for ethane;2-nitro-5-piperidin-1-ylpyridine?
The canonical SMILES for ethane;2-nitro-5-piperidin-1-ylpyridine is CC.O=[N+]([O-])c1ccc(N2CCCCC2)cn1.
What is the InChIKey of ethane;2-nitro-5-piperidin-1-ylpyridine?
The InChIKey is HBKNJVOTBAJQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2.C2H6/c14-13(15)10-5-4-9(8-11-10)12-6-2-1-3-7-12;1-2/h4-5,8H,1-3,6-7H2;1-2H3.
What are the key properties of ethane;2-nitro-5-piperidin-1-ylpyridine?
ethane;2-nitro-5-piperidin-1-ylpyridine has a molecular weight of 237.30 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-nitro-5-piperidin-1-ylpyridine is sourced from PubChem (CID 142329897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).