2-bromo-5-nitro-4-piperidin-1-ylpyridine

C10H12BrN3O2 — CID 137390842

IUPAC2-bromo-5-nitro-4-piperidin-1-ylpyridine
SMILESO=[N+]([O-])c1cnc(Br)cc1N1CCCCC1
InChIInChI=1S/C10H12BrN3O2/c11-10-6-8(9(7-12-10)14(15)16)13-4-2-1-3-5-13/h6-7H,1-5H2
InChIKeyPGTQDAHZKGZXLQ-UHFFFAOYSA-N
MW286.13 g/mol
LogP2.74
Rot. Bonds2

About 2-bromo-5-nitro-4-piperidin-1-ylpyridine

2-bromo-5-nitro-4-piperidin-1-ylpyridine (PubChem CID 137390842) has the molecular formula C10H12BrN3O2 and a molecular weight of 286.13 g/mol. Its IUPAC name is 2-bromo-5-nitro-4-piperidin-1-ylpyridine.

Molecular Properties

Compound Name2-bromo-5-nitro-4-piperidin-1-ylpyridine
PubChem CID137390842
Molecular FormulaC10H12BrN3O2
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name2-bromo-5-nitro-4-piperidin-1-ylpyridine
SMILESO=[N+]([O-])c1cnc(Br)cc1N1CCCCC1
InChIInChI=1S/C10H12BrN3O2/c11-10-6-8(9(7-12-10)14(15)16)13-4-2-1-3-5-13/h6-7H,1-5H2
InChIKeyPGTQDAHZKGZXLQ-UHFFFAOYSA-N
XLogP2.74
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dinitro-5-piperidin-1-ylaniline
CID 17352651
1-(5-bromo-4-methyl-2-nitrophenyl)pyrrolidine
CID 139034981
1-(5-chloro-2,4-dinitrophenyl)azepane
CID 2842391
1-(4-bromo-5-butoxy-2-nitrophenyl)pyrrolidine
CID 168512257
1-(2,4-dinitrophenyl)azepane
CID 2731658
1-(2,4-dinitrophenyl)azocane
CID 9311675
2-bromo-5-nitropyridine-4-carbonitrile
CID 119024945
1-(6-nitro-1,3-benzodioxol-5-yl)pyrrolidine
CID 39732315
1-(4-chloro-2-nitrophenyl)piperidine
CID 160686778
2-bromo-4-nitro-5-(triazol-2-yl)pyridine
CID 156539643
1-(4,5-dimethoxy-2-nitrophenyl)pyrrolidine
CID 616606
CID 164551635
CID 164551635

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-nitro-4-piperidin-1-ylpyridine?
The IUPAC name of 2-bromo-5-nitro-4-piperidin-1-ylpyridine (CID 137390842) is 2-bromo-5-nitro-4-piperidin-1-ylpyridine.
What is the SMILES notation for 2-bromo-5-nitro-4-piperidin-1-ylpyridine?
The canonical SMILES for 2-bromo-5-nitro-4-piperidin-1-ylpyridine is O=[N+]([O-])c1cnc(Br)cc1N1CCCCC1.
What is the InChIKey of 2-bromo-5-nitro-4-piperidin-1-ylpyridine?
The InChIKey is PGTQDAHZKGZXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2/c11-10-6-8(9(7-12-10)14(15)16)13-4-2-1-3-5-13/h6-7H,1-5H2.
What are the key properties of 2-bromo-5-nitro-4-piperidin-1-ylpyridine?
2-bromo-5-nitro-4-piperidin-1-ylpyridine has a molecular weight of 286.13 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-nitro-4-piperidin-1-ylpyridine is sourced from PubChem (CID 137390842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).