6-methoxy-3-nitro-2-piperidin-3-yloxypyridine

C11H15N3O4 — CID 115323414

IUPAC6-methoxy-3-nitro-2-piperidin-3-yloxypyridine
SMILESCOc1ccc([N+](=O)[O-])c(OC2CCCNC2)n1
InChIInChI=1S/C11H15N3O4/c1-17-10-5-4-9(14(15)16)11(13-10)18-8-3-2-6-12-7-8/h4-5,8,12H,2-3,6-7H2,1H3
InChIKeyAQSVZURGJIDDCC-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.13
Rot. Bonds4

About 6-methoxy-3-nitro-2-piperidin-3-yloxypyridine

6-methoxy-3-nitro-2-piperidin-3-yloxypyridine (PubChem CID 115323414) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 6-methoxy-3-nitro-2-piperidin-3-yloxypyridine.

Molecular Properties

Compound Name6-methoxy-3-nitro-2-piperidin-3-yloxypyridine
PubChem CID115323414
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name6-methoxy-3-nitro-2-piperidin-3-yloxypyridine
SMILESCOc1ccc([N+](=O)[O-])c(OC2CCCNC2)n1
InChIInChI=1S/C11H15N3O4/c1-17-10-5-4-9(14(15)16)11(13-10)18-8-3-2-6-12-7-8/h4-5,8,12H,2-3,6-7H2,1H3
InChIKeyAQSVZURGJIDDCC-UHFFFAOYSA-N
XLogP1.13
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-methyl-3-nitro-6-pyrrolidin-3-yloxypyridine
CID 66883552
2-methoxy-6-[(3R)-piperidin-3-yl]oxypyridine
CID 96644678
3-bromo-4-methyl-5-nitro-2-[(3S)-piperidin-3-yl]oxypyridine
CID 113420700
3-bromo-4-methyl-5-nitro-2-piperidin-3-yloxypyridine
CID 104508427
2-[(6-methoxy-3-nitro-2-pyridinyl)oxymethyl]morpholine
CID 114468877
6-methoxy-3-nitro-2-(piperidin-2-ylmethoxy)pyridine
CID 115323416
3-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 53255983
(3S)-3-(4-nitro-3-propan-2-yloxyphenoxy)piperidine
CID 83013093
5-nitro-2-[(3S)-piperidin-3-yl]oxy-1,3-thiazole
CID 102771875
(3S)-3-(4-methoxy-2-nitrophenoxy)pyrrolidine
CID 115460380
6-cycloheptyloxy-5-nitropyridin-2-amine
CID 80870562
5-bromo-3-methoxy-2-piperidin-3-yloxypyrazine
CID 131278584

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-nitro-2-piperidin-3-yloxypyridine?
The IUPAC name of 6-methoxy-3-nitro-2-piperidin-3-yloxypyridine (CID 115323414) is 6-methoxy-3-nitro-2-piperidin-3-yloxypyridine.
What is the SMILES notation for 6-methoxy-3-nitro-2-piperidin-3-yloxypyridine?
The canonical SMILES for 6-methoxy-3-nitro-2-piperidin-3-yloxypyridine is COc1ccc([N+](=O)[O-])c(OC2CCCNC2)n1.
What is the InChIKey of 6-methoxy-3-nitro-2-piperidin-3-yloxypyridine?
The InChIKey is AQSVZURGJIDDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-17-10-5-4-9(14(15)16)11(13-10)18-8-3-2-6-12-7-8/h4-5,8,12H,2-3,6-7H2,1H3.
What are the key properties of 6-methoxy-3-nitro-2-piperidin-3-yloxypyridine?
6-methoxy-3-nitro-2-piperidin-3-yloxypyridine has a molecular weight of 253.26 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-nitro-2-piperidin-3-yloxypyridine is sourced from PubChem (CID 115323414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).