6-[3-(hydroxymethyl)morpholin-4-yl]-3-nitropyridine-2-carbonitrile

C11H12N4O4 — CID 103472986

IUPAC6-[3-(hydroxymethyl)morpholin-4-yl]-3-nitropyridine-2-carbonitrile
SMILESN#Cc1nc(N2CCOCC2CO)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H12N4O4/c12-5-9-10(15(17)18)1-2-11(13-9)14-3-4-19-7-8(14)6-16/h1-2,8,16H,3-4,6-7H2
InChIKeyTZSUGTURUIYTCQ-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.06
Rot. Bonds3

About 6-[3-(hydroxymethyl)morpholin-4-yl]-3-nitropyridine-2-carbonitrile

6-[3-(hydroxymethyl)morpholin-4-yl]-3-nitropyridine-2-carbonitrile (PubChem CID 103472986) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 6-[3-(hydroxymethyl)morpholin-4-yl]-3-nitropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[3-(hydroxymethyl)morpholin-4-yl]-3-nitropyridine-2-carbonitrile
PubChem CID103472986
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name6-[3-(hydroxymethyl)morpholin-4-yl]-3-nitropyridine-2-carbonitrile
SMILESN#Cc1nc(N2CCOCC2CO)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H12N4O4/c12-5-9-10(15(17)18)1-2-11(13-9)14-3-4-19-7-8(14)6-16/h1-2,8,16H,3-4,6-7H2
InChIKeyTZSUGTURUIYTCQ-UHFFFAOYSA-N
XLogP0.06
TPSA112.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

4-bromo-5-[(3R)-3-(hydroxymethyl)morpholin-4-yl]-2-nitrobenzonitrile
CID 171094713
6-[3-(hydroxymethyl)morpholin-4-yl]-5-nitropyridine-2-carboxylic acid
CID 114404726
[4-(6-chloro-4-nitro-2-pyridinyl)morpholin-3-yl]methanol
CID 114070875
6-(2-ethylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile
CID 133499900
3-nitro-6-piperidin-1-ylpyridine-2-carbonitrile
CID 133499892
6-[2-[(4-chlorophenyl)methyl]piperidin-1-yl]-3-nitropyridine-2-carbonitrile
CID 615756
6-[3-(hydroxymethyl)morpholin-4-yl]-N,N-dimethylpyridine-3-sulfonamide
CID 103341245
6-(4-hydroxy-3-methylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile
CID 103473000
[1-(6-amino-5-nitro-2-pyridinyl)azepan-2-yl]methanol
CID 116636858
4-(6-cyano-5-nitro-2-pyridinyl)thiomorpholine-3-carboxylic acid
CID 103470090
6-(3-morpholin-4-ylpropylamino)-3-nitropyridine-2-carbonitrile
CID 103471217
6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-nitropyridine-2-carbonitrile
CID 103472601

Frequently Asked Questions

What is the IUPAC name of 6-[3-(hydroxymethyl)morpholin-4-yl]-3-nitropyridine-2-carbonitrile?
The IUPAC name of 6-[3-(hydroxymethyl)morpholin-4-yl]-3-nitropyridine-2-carbonitrile (CID 103472986) is 6-[3-(hydroxymethyl)morpholin-4-yl]-3-nitropyridine-2-carbonitrile.
What is the SMILES notation for 6-[3-(hydroxymethyl)morpholin-4-yl]-3-nitropyridine-2-carbonitrile?
The canonical SMILES for 6-[3-(hydroxymethyl)morpholin-4-yl]-3-nitropyridine-2-carbonitrile is N#Cc1nc(N2CCOCC2CO)ccc1[N+](=O)[O-].
What is the InChIKey of 6-[3-(hydroxymethyl)morpholin-4-yl]-3-nitropyridine-2-carbonitrile?
The InChIKey is TZSUGTURUIYTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c12-5-9-10(15(17)18)1-2-11(13-9)14-3-4-19-7-8(14)6-16/h1-2,8,16H,3-4,6-7H2.
What are the key properties of 6-[3-(hydroxymethyl)morpholin-4-yl]-3-nitropyridine-2-carbonitrile?
6-[3-(hydroxymethyl)morpholin-4-yl]-3-nitropyridine-2-carbonitrile has a molecular weight of 264.24 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(hydroxymethyl)morpholin-4-yl]-3-nitropyridine-2-carbonitrile is sourced from PubChem (CID 103472986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).