1-(5-bromo-3-nitro-2-pyridinyl)piperidin-3-amine

C10H13BrN4O2 — CID 61297983

IUPAC1-(5-bromo-3-nitro-2-pyridinyl)piperidin-3-amine
SMILESNC1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1
InChIInChI=1S/C10H13BrN4O2/c11-7-4-9(15(16)17)10(13-5-7)14-3-1-2-8(12)6-14/h4-5,8H,1-3,6,12H2
InChIKeyFGTAZVWDDMCYAR-UHFFFAOYSA-N
MW301.14 g/mol
LogP1.68
Rot. Bonds2

About 1-(5-bromo-3-nitro-2-pyridinyl)piperidin-3-amine

1-(5-bromo-3-nitro-2-pyridinyl)piperidin-3-amine (PubChem CID 61297983) has the molecular formula C10H13BrN4O2 and a molecular weight of 301.14 g/mol. Its IUPAC name is 1-(5-bromo-3-nitro-2-pyridinyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(5-bromo-3-nitro-2-pyridinyl)piperidin-3-amine
PubChem CID61297983
Molecular FormulaC10H13BrN4O2
Molecular Weight301.14 g/mol
Exact Mass300.02
IUPAC Name1-(5-bromo-3-nitro-2-pyridinyl)piperidin-3-amine
SMILESNC1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1
InChIInChI=1S/C10H13BrN4O2/c11-7-4-9(15(16)17)10(13-5-7)14-3-1-2-8(12)6-14/h4-5,8H,1-3,6,12H2
InChIKeyFGTAZVWDDMCYAR-UHFFFAOYSA-N
XLogP1.68
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.68
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

1-(5-bromo-3-nitro-2-pyridinyl)-N-methylpiperidin-3-amine
CID 62545848
1-(5-methyl-3-nitro-2-pyridinyl)piperidin-3-amine
CID 66279399
1-(5-bromo-3-nitro-2-pyridinyl)piperidine-3-carbaldehyde
CID 62664875
1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-3-carboxamide
CID 103768234
2-(5-bromo-3-nitro-2-pyridinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79919408
1-(5-bromo-3-nitro-2-pyridinyl)-N-methylpyrrolidin-3-amine
CID 113282049
4-(5-bromo-3-nitro-2-pyridinyl)-2-methyl-1,4-oxazepane
CID 55140574
5-bromo-2-(4-ethylpiperidin-1-yl)-3-nitropyridine
CID 61421763
3-(5-bromo-3-nitro-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66369355
1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 61230177
5-bromo-2-(4-methoxypiperidin-1-yl)-3-nitropyridine
CID 61375860
5-bromo-2-(4-tert-butylpiperidin-1-yl)-3-nitropyridine
CID 62085266

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-nitro-2-pyridinyl)piperidin-3-amine?
The IUPAC name of 1-(5-bromo-3-nitro-2-pyridinyl)piperidin-3-amine (CID 61297983) is 1-(5-bromo-3-nitro-2-pyridinyl)piperidin-3-amine.
What is the SMILES notation for 1-(5-bromo-3-nitro-2-pyridinyl)piperidin-3-amine?
The canonical SMILES for 1-(5-bromo-3-nitro-2-pyridinyl)piperidin-3-amine is NC1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1.
What is the InChIKey of 1-(5-bromo-3-nitro-2-pyridinyl)piperidin-3-amine?
The InChIKey is FGTAZVWDDMCYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O2/c11-7-4-9(15(16)17)10(13-5-7)14-3-1-2-8(12)6-14/h4-5,8H,1-3,6,12H2.
What are the key properties of 1-(5-bromo-3-nitro-2-pyridinyl)piperidin-3-amine?
1-(5-bromo-3-nitro-2-pyridinyl)piperidin-3-amine has a molecular weight of 301.14 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-nitro-2-pyridinyl)piperidin-3-amine is sourced from PubChem (CID 61297983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).