1-(6-nitro-3-pyridinyl)piperidin-3-ol

C10H13N3O3 — CID 60631861

IUPAC1-(6-nitro-3-pyridinyl)piperidin-3-ol
SMILESO=[N+]([O-])c1ccc(N2CCCC(O)C2)cn1
InChIInChI=1S/C10H13N3O3/c14-9-2-1-5-12(7-9)8-3-4-10(11-6-8)13(15)16/h3-4,6,9,14H,1-2,5,7H2
InChIKeyUAICJSJKFBBHDD-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.95
Rot. Bonds2

About 1-(6-nitro-3-pyridinyl)piperidin-3-ol

1-(6-nitro-3-pyridinyl)piperidin-3-ol (PubChem CID 60631861) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-(6-nitro-3-pyridinyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(6-nitro-3-pyridinyl)piperidin-3-ol
PubChem CID60631861
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-(6-nitro-3-pyridinyl)piperidin-3-ol
SMILESO=[N+]([O-])c1ccc(N2CCCC(O)C2)cn1
InChIInChI=1S/C10H13N3O3/c14-9-2-1-5-12(7-9)8-3-4-10(11-6-8)13(15)16/h3-4,6,9,14H,1-2,5,7H2
InChIKeyUAICJSJKFBBHDD-UHFFFAOYSA-N
XLogP0.95
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
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

ethane;2-nitro-5-piperidin-1-ylpyridine
CID 142329897
CID 169152785
CID 169152785
[4-(6-nitro-3-pyridinyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone
CID 47045156
2-[1-(6-nitro-3-pyridinyl)piperidin-4-yl]acetic acid
CID 79608617
5-(3,5-dimethylpiperidin-1-yl)-2-nitropyridine
CID 4780110
1-(6-nitro-3-pyridinyl)azetidine-3-carbaldehyde
CID 162681713
1-(3-nitrophenyl)piperidin-3-ol
CID 60981138
6-(6-nitro-3-pyridinyl)-6-azaspiro[2.5]octane
CID 122520396
[1-(6-nitro-3-pyridinyl)piperidin-4-yl] carbamate
CID 139390117
3,3,5,5-tetradeuterio-1-(6-nitro-3-pyridinyl)piperazine
CID 162640866
5-(6-nitro-3-pyridinyl)-5-azaspiro[2.4]heptane
CID 118348190
(3S)-N-[(2-methoxy-4-pyridinyl)methyl]-1-(6-nitro-3-pyridinyl)piperidin-3-amine
CID 169153327

Frequently Asked Questions

What is the IUPAC name of 1-(6-nitro-3-pyridinyl)piperidin-3-ol?
The IUPAC name of 1-(6-nitro-3-pyridinyl)piperidin-3-ol (CID 60631861) is 1-(6-nitro-3-pyridinyl)piperidin-3-ol.
What is the SMILES notation for 1-(6-nitro-3-pyridinyl)piperidin-3-ol?
The canonical SMILES for 1-(6-nitro-3-pyridinyl)piperidin-3-ol is O=[N+]([O-])c1ccc(N2CCCC(O)C2)cn1.
What is the InChIKey of 1-(6-nitro-3-pyridinyl)piperidin-3-ol?
The InChIKey is UAICJSJKFBBHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-9-2-1-5-12(7-9)8-3-4-10(11-6-8)13(15)16/h3-4,6,9,14H,1-2,5,7H2.
What are the key properties of 1-(6-nitro-3-pyridinyl)piperidin-3-ol?
1-(6-nitro-3-pyridinyl)piperidin-3-ol has a molecular weight of 223.23 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-nitro-3-pyridinyl)piperidin-3-ol is sourced from PubChem (CID 60631861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).