6-methoxy-3-nitro-2-(piperidin-2-ylmethoxy)pyridine

C12H17N3O4 — CID 115323416

IUPAC6-methoxy-3-nitro-2-(piperidin-2-ylmethoxy)pyridine
SMILESCOc1ccc([N+](=O)[O-])c(OCC2CCCCN2)n1
InChIInChI=1S/C12H17N3O4/c1-18-11-6-5-10(15(16)17)12(14-11)19-8-9-4-2-3-7-13-9/h5-6,9,13H,2-4,7-8H2,1H3
InChIKeyQBPWARLNTHNWPZ-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.52
Rot. Bonds5

About 6-methoxy-3-nitro-2-(piperidin-2-ylmethoxy)pyridine

6-methoxy-3-nitro-2-(piperidin-2-ylmethoxy)pyridine (PubChem CID 115323416) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 6-methoxy-3-nitro-2-(piperidin-2-ylmethoxy)pyridine.

Molecular Properties

Compound Name6-methoxy-3-nitro-2-(piperidin-2-ylmethoxy)pyridine
PubChem CID115323416
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name6-methoxy-3-nitro-2-(piperidin-2-ylmethoxy)pyridine
SMILESCOc1ccc([N+](=O)[O-])c(OCC2CCCCN2)n1
InChIInChI=1S/C12H17N3O4/c1-18-11-6-5-10(15(16)17)12(14-11)19-8-9-4-2-3-7-13-9/h5-6,9,13H,2-4,7-8H2,1H3
InChIKeyQBPWARLNTHNWPZ-UHFFFAOYSA-N
XLogP1.52
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.52
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

6-methyl-3-nitro-2-(pyrrolidin-2-ylmethoxy)pyridine
CID 81137313
6-methoxy-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 115323228
[2-[(6-methoxy-3-nitro-2-pyridinyl)oxymethyl]cyclopentyl]methanamine
CID 115323428
2-[(6-methoxy-3-nitro-2-pyridinyl)oxymethyl]morpholine
CID 114468877
3-bromo-4-methyl-5-nitro-2-(piperidin-2-ylmethoxy)pyridine
CID 104508429
(2R)-2-[(4-methoxy-2-nitrophenoxy)methyl]pyrrolidine
CID 102820051
3-nitro-4-(piperidin-2-ylmethoxy)pyridine
CID 62349163
6-methoxy-3-nitro-2-piperidin-3-yloxypyridine
CID 115323414
2-nitro-5-(piperidin-2-ylmethoxy)benzonitrile
CID 115500682
3-nitro-2-(piperidin-2-ylmethoxy)benzonitrile
CID 90038503
3-bromo-5-nitro-2-[[(2S)-piperidin-2-yl]methoxy]pyridine
CID 177197280
6-methoxy-1-(piperidin-2-ylmethoxy)isoquinoline
CID 106542068

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-nitro-2-(piperidin-2-ylmethoxy)pyridine?
The IUPAC name of 6-methoxy-3-nitro-2-(piperidin-2-ylmethoxy)pyridine (CID 115323416) is 6-methoxy-3-nitro-2-(piperidin-2-ylmethoxy)pyridine.
What is the SMILES notation for 6-methoxy-3-nitro-2-(piperidin-2-ylmethoxy)pyridine?
The canonical SMILES for 6-methoxy-3-nitro-2-(piperidin-2-ylmethoxy)pyridine is COc1ccc([N+](=O)[O-])c(OCC2CCCCN2)n1.
What is the InChIKey of 6-methoxy-3-nitro-2-(piperidin-2-ylmethoxy)pyridine?
The InChIKey is QBPWARLNTHNWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-18-11-6-5-10(15(16)17)12(14-11)19-8-9-4-2-3-7-13-9/h5-6,9,13H,2-4,7-8H2,1H3.
What are the key properties of 6-methoxy-3-nitro-2-(piperidin-2-ylmethoxy)pyridine?
6-methoxy-3-nitro-2-(piperidin-2-ylmethoxy)pyridine has a molecular weight of 267.28 g/mol, XLogP of 1.52, 5 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-2-ylmethoxy)pyridine is sourced from PubChem (CID 115323416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).