6-(morpholin-2-ylmethylamino)-3-nitropyridine-2-carbonitrile

C11H13N5O3 — CID 103472615

IUPAC6-(morpholin-2-ylmethylamino)-3-nitropyridine-2-carbonitrile
SMILESN#Cc1nc(NCC2CNCCO2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H13N5O3/c12-5-9-10(16(17)18)1-2-11(15-9)14-7-8-6-13-3-4-19-8/h1-2,8,13H,3-4,6-7H2,(H,14,15)
InChIKeyFOCCBONYFOGSBV-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.26
Rot. Bonds4

About 6-(morpholin-2-ylmethylamino)-3-nitropyridine-2-carbonitrile

6-(morpholin-2-ylmethylamino)-3-nitropyridine-2-carbonitrile (PubChem CID 103472615) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 6-(morpholin-2-ylmethylamino)-3-nitropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(morpholin-2-ylmethylamino)-3-nitropyridine-2-carbonitrile
PubChem CID103472615
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name6-(morpholin-2-ylmethylamino)-3-nitropyridine-2-carbonitrile
SMILESN#Cc1nc(NCC2CNCCO2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H13N5O3/c12-5-9-10(16(17)18)1-2-11(15-9)14-7-8-6-13-3-4-19-8/h1-2,8,13H,3-4,6-7H2,(H,14,15)
InChIKeyFOCCBONYFOGSBV-UHFFFAOYSA-N
XLogP0.26
TPSA113.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.26
H-Bond Donors ≤ 52
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

3-nitro-6-(oxan-2-ylmethylamino)pyridine-2-carbonitrile
CID 103471500
3-nitro-6-(pyrrolidin-3-ylmethylamino)pyridine-2-carbonitrile
CID 103472537
N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine
CID 115324200
4-methyl-N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine
CID 115324081
6-[(4-ethylcyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103471316
3-(morpholin-2-ylmethylamino)-4-nitrobenzamide
CID 82995436
N-(morpholin-2-ylmethyl)-8-nitroisoquinolin-5-amine
CID 115324182
N-(morpholin-2-ylmethyl)-6-nitropyridin-3-amine
CID 115324252
6-[(3-hydroxycyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103578031
6-[(3-methyl-1,2-oxazol-5-yl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103471532
6-[3-(cyclopropylamino)propylamino]-3-nitropyridine-2-carbonitrile
CID 103472204
4,5-dimethoxy-N-(morpholin-2-ylmethyl)-2-nitroaniline
CID 83004079

Frequently Asked Questions

What is the IUPAC name of 6-(morpholin-2-ylmethylamino)-3-nitropyridine-2-carbonitrile?
The IUPAC name of 6-(morpholin-2-ylmethylamino)-3-nitropyridine-2-carbonitrile (CID 103472615) is 6-(morpholin-2-ylmethylamino)-3-nitropyridine-2-carbonitrile.
What is the SMILES notation for 6-(morpholin-2-ylmethylamino)-3-nitropyridine-2-carbonitrile?
The canonical SMILES for 6-(morpholin-2-ylmethylamino)-3-nitropyridine-2-carbonitrile is N#Cc1nc(NCC2CNCCO2)ccc1[N+](=O)[O-].
What is the InChIKey of 6-(morpholin-2-ylmethylamino)-3-nitropyridine-2-carbonitrile?
The InChIKey is FOCCBONYFOGSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c12-5-9-10(16(17)18)1-2-11(15-9)14-7-8-6-13-3-4-19-8/h1-2,8,13H,3-4,6-7H2,(H,14,15).
What are the key properties of 6-(morpholin-2-ylmethylamino)-3-nitropyridine-2-carbonitrile?
6-(morpholin-2-ylmethylamino)-3-nitropyridine-2-carbonitrile has a molecular weight of 263.26 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(morpholin-2-ylmethylamino)-3-nitropyridine-2-carbonitrile is sourced from PubChem (CID 103472615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).