5-bromo-2-(4-methoxypiperidin-1-yl)-3-nitropyridine

C11H14BrN3O3 — CID 61375860

IUPAC5-bromo-2-(4-methoxypiperidin-1-yl)-3-nitropyridine
SMILESCOC1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C11H14BrN3O3/c1-18-9-2-4-14(5-3-9)11-10(15(16)17)6-8(12)7-13-11/h6-7,9H,2-5H2,1H3
InChIKeyQYAOZDHJWZCJPE-UHFFFAOYSA-N
MW316.16 g/mol
LogP2.37
Rot. Bonds3

About 5-bromo-2-(4-methoxypiperidin-1-yl)-3-nitropyridine

5-bromo-2-(4-methoxypiperidin-1-yl)-3-nitropyridine (PubChem CID 61375860) has the molecular formula C11H14BrN3O3 and a molecular weight of 316.16 g/mol. Its IUPAC name is 5-bromo-2-(4-methoxypiperidin-1-yl)-3-nitropyridine.

Molecular Properties

Compound Name5-bromo-2-(4-methoxypiperidin-1-yl)-3-nitropyridine
PubChem CID61375860
Molecular FormulaC11H14BrN3O3
Molecular Weight316.16 g/mol
Exact Mass315.02
IUPAC Name5-bromo-2-(4-methoxypiperidin-1-yl)-3-nitropyridine
SMILESCOC1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C11H14BrN3O3/c1-18-9-2-4-14(5-3-9)11-10(15(16)17)6-8(12)7-13-11/h6-7,9H,2-5H2,1H3
InChIKeyQYAOZDHJWZCJPE-UHFFFAOYSA-N
XLogP2.37
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 52.37
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

6-(4-methoxypiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81438441
5-bromo-2-(4-ethylpiperidin-1-yl)-3-nitropyridine
CID 61421763
5-bromo-2-(4-tert-butylpiperidin-1-yl)-3-nitropyridine
CID 62085266
methyl 2-[1-(5-bromo-3-nitro-2-pyridinyl)piperidin-4-yl]-2-hydroxyacetate
CID 133398953
1-(5-bromo-3-nitro-2-pyridinyl)-N-methylpyrrolidin-3-amine
CID 113282049
3-(5-bromo-3-nitro-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66369355
1-(5-bromo-3-nitro-2-pyridinyl)-N-methylpiperidin-3-amine
CID 62545848
1-(5-bromo-3-nitro-2-pyridinyl)piperidin-3-amine
CID 61297983
5-bromo-N-(4-methoxycyclohexyl)-3-nitropyridin-2-amine
CID 175928586
1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-3-carboxamide
CID 103768234
1-(5-bromo-3-nitro-2-pyridinyl)-N,4-dimethylpiperidin-4-amine
CID 115305468
4-[[(3R)-1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidin-3-yl]oxymethyl]-2-methyl-1,3-thiazole
CID 100615430

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-methoxypiperidin-1-yl)-3-nitropyridine?
The IUPAC name of 5-bromo-2-(4-methoxypiperidin-1-yl)-3-nitropyridine (CID 61375860) is 5-bromo-2-(4-methoxypiperidin-1-yl)-3-nitropyridine.
What is the SMILES notation for 5-bromo-2-(4-methoxypiperidin-1-yl)-3-nitropyridine?
The canonical SMILES for 5-bromo-2-(4-methoxypiperidin-1-yl)-3-nitropyridine is COC1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1.
What is the InChIKey of 5-bromo-2-(4-methoxypiperidin-1-yl)-3-nitropyridine?
The InChIKey is QYAOZDHJWZCJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O3/c1-18-9-2-4-14(5-3-9)11-10(15(16)17)6-8(12)7-13-11/h6-7,9H,2-5H2,1H3.
What are the key properties of 5-bromo-2-(4-methoxypiperidin-1-yl)-3-nitropyridine?
5-bromo-2-(4-methoxypiperidin-1-yl)-3-nitropyridine has a molecular weight of 316.16 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-methoxypiperidin-1-yl)-3-nitropyridine is sourced from PubChem (CID 61375860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).