6-(4-hydroxy-3-methylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile

C12H14N4O3 — CID 103473000

IUPAC6-(4-hydroxy-3-methylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile
SMILESCC1CN(c2ccc([N+](=O)[O-])c(C#N)n2)CCC1O
InChIInChI=1S/C12H14N4O3/c1-8-7-15(5-4-11(8)17)12-3-2-10(16(18)19)9(6-13)14-12/h2-3,8,11,17H,4-5,7H2,1H3
InChIKeyQWFPCXBESHDNNH-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.07
Rot. Bonds2

About 6-(4-hydroxy-3-methylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile

6-(4-hydroxy-3-methylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile (PubChem CID 103473000) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 6-(4-hydroxy-3-methylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(4-hydroxy-3-methylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile
PubChem CID103473000
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name6-(4-hydroxy-3-methylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile
SMILESCC1CN(c2ccc([N+](=O)[O-])c(C#N)n2)CCC1O
InChIInChI=1S/C12H14N4O3/c1-8-7-15(5-4-11(8)17)12-3-2-10(16(18)19)9(6-13)14-12/h2-3,8,11,17H,4-5,7H2,1H3
InChIKeyQWFPCXBESHDNNH-UHFFFAOYSA-N
XLogP1.07
TPSA103.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.07
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-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-nitropyridine-2-carbonitrile
CID 103472601
6-(3-aminopiperidin-1-yl)-3-nitropyridine-2-carbonitrile
CID 103472225
3-[1-(6-cyano-5-nitro-2-pyridinyl)pyrrolidin-3-yl]propanoic acid
CID 103470056
N'-hydroxy-6-(4-hydroxy-3-methylpiperidin-1-yl)-3-nitropyridine-2-carboximidamide
CID 136890211
4-(4-hydroxy-3-methylpiperidin-1-yl)-2-nitrobenzonitrile
CID 114678522
3-nitro-6-piperidin-1-ylpyridine-2-carbonitrile
CID 133499892
6-[3-(1-aminoethyl)piperidin-1-yl]-3-nitropyridine-2-carbonitrile
CID 103472343
6-[4-methyl-4-(methylamino)piperidin-1-yl]-3-nitropyridine-2-carbonitrile
CID 103472568
6-(2-ethylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile
CID 133499900
4-(6-cyano-5-nitro-2-pyridinyl)thiomorpholine-3-carboxylic acid
CID 103470090
3-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-ol
CID 114680956
6-[3-(hydroxymethyl)morpholin-4-yl]-3-nitropyridine-2-carbonitrile
CID 103472986

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxy-3-methylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile?
The IUPAC name of 6-(4-hydroxy-3-methylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile (CID 103473000) is 6-(4-hydroxy-3-methylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile.
What is the SMILES notation for 6-(4-hydroxy-3-methylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile?
The canonical SMILES for 6-(4-hydroxy-3-methylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile is CC1CN(c2ccc([N+](=O)[O-])c(C#N)n2)CCC1O.
What is the InChIKey of 6-(4-hydroxy-3-methylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile?
The InChIKey is QWFPCXBESHDNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-8-7-15(5-4-11(8)17)12-3-2-10(16(18)19)9(6-13)14-12/h2-3,8,11,17H,4-5,7H2,1H3.
What are the key properties of 6-(4-hydroxy-3-methylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile?
6-(4-hydroxy-3-methylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile has a molecular weight of 262.27 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxy-3-methylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile is sourced from PubChem (CID 103473000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).