6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine-2-carbonitrile

C12H14N4O3 — CID 103473371

IUPAC6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine-2-carbonitrile
SMILESCC1CCNCC1Oc1ccc([N+](=O)[O-])c(C#N)n1
InChIInChI=1S/C12H14N4O3/c1-8-4-5-14-7-11(8)19-12-3-2-10(16(17)18)9(6-13)15-12/h2-3,8,11,14H,4-5,7H2,1H3
InChIKeyLUACOHCDOSOFME-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.24
Rot. Bonds3

About 6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine-2-carbonitrile

6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine-2-carbonitrile (PubChem CID 103473371) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine-2-carbonitrile
PubChem CID103473371
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine-2-carbonitrile
SMILESCC1CCNCC1Oc1ccc([N+](=O)[O-])c(C#N)n1
InChIInChI=1S/C12H14N4O3/c1-8-4-5-14-7-11(8)19-12-3-2-10(16(17)18)9(6-13)15-12/h2-3,8,11,14H,4-5,7H2,1H3
InChIKeyLUACOHCDOSOFME-UHFFFAOYSA-N
XLogP1.24
TPSA101.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.24
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-6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine
CID 102954630
6-(4-methylpiperidin-3-yl)oxypyridine-2-carbonitrile
CID 102954442
3-(2,4-dinitrophenoxy)-4-methylpiperidine
CID 102954668
6-[2-(aminomethyl)cyclohexyl]oxy-3-nitropyridine-2-carbonitrile
CID 103473314
2-methyl-3-nitro-6-pyrrolidin-3-yloxypyridine
CID 66883552
3-nitro-6-(pyrrolidin-3-ylmethylamino)pyridine-2-carbonitrile
CID 103472537
2-(4-methylpiperidin-3-yl)oxy-6-nitro-1H-benzimidazole
CID 102954476
6-(4-methylpiperidin-3-yl)oxypyridine-2-carboxamide
CID 102954424
4-(4-methylpiperidin-3-yl)oxypyrimidine
CID 102954700
3-(3-fluoro-2-nitrophenoxy)-4-methylpiperidine
CID 102954747
6-(4-fluorophenoxy)-3-nitropyridine-2-carbonitrile
CID 133499923
2-methyl-4-(4-methylpiperidin-3-yl)oxybenzonitrile
CID 102954720

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine-2-carbonitrile?
The IUPAC name of 6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine-2-carbonitrile (CID 103473371) is 6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine-2-carbonitrile.
What is the SMILES notation for 6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine-2-carbonitrile?
The canonical SMILES for 6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine-2-carbonitrile is CC1CCNCC1Oc1ccc([N+](=O)[O-])c(C#N)n1.
What is the InChIKey of 6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine-2-carbonitrile?
The InChIKey is LUACOHCDOSOFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-8-4-5-14-7-11(8)19-12-3-2-10(16(17)18)9(6-13)15-12/h2-3,8,11,14H,4-5,7H2,1H3.
What are the key properties of 6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine-2-carbonitrile?
6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine-2-carbonitrile has a molecular weight of 262.27 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine-2-carbonitrile is sourced from PubChem (CID 103473371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).