4-(5-methyl-4-nitro-2-pyridinyl)morpholine-2-carbonitrile

C11H12N4O3 — CID 83268548

IUPAC4-(5-methyl-4-nitro-2-pyridinyl)morpholine-2-carbonitrile
SMILESCc1cnc(N2CCOC(C#N)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H12N4O3/c1-8-6-13-11(4-10(8)15(16)17)14-2-3-18-9(5-12)7-14/h4,6,9H,2-3,7H2,1H3
InChIKeyGXMACZDAJHEYET-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.03
Rot. Bonds2

About 4-(5-methyl-4-nitro-2-pyridinyl)morpholine-2-carbonitrile

4-(5-methyl-4-nitro-2-pyridinyl)morpholine-2-carbonitrile (PubChem CID 83268548) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 4-(5-methyl-4-nitro-2-pyridinyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(5-methyl-4-nitro-2-pyridinyl)morpholine-2-carbonitrile
PubChem CID83268548
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name4-(5-methyl-4-nitro-2-pyridinyl)morpholine-2-carbonitrile
SMILESCc1cnc(N2CCOC(C#N)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H12N4O3/c1-8-6-13-11(4-10(8)15(16)17)14-2-3-18-9(5-12)7-14/h4,6,9H,2-3,7H2,1H3
InChIKeyGXMACZDAJHEYET-UHFFFAOYSA-N
XLogP1.03
TPSA92.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
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

4-(2-bromo-5-methyl-4-nitrophenyl)morpholine-2-carbonitrile
CID 103269477
4-(5-nitro-1,3-thiazol-2-yl)morpholine-2-carbonitrile
CID 102770047
4-(5-chloro-2-nitrophenyl)morpholine-2-carbonitrile
CID 115469457
4-(4-fluoro-2-nitrophenyl)morpholine-2-carbonitrile
CID 78946425
3-(2-cyanomorpholin-4-yl)-4-nitrobenzoic acid
CID 82784039
4-[4-(1-hydroxyethyl)-2-nitrophenyl]morpholine-2-carbonitrile
CID 79674902
[1-(5-methyl-4-nitro-2-pyridinyl)azetidin-3-yl]methanol
CID 83271569
4-[5-(hydroxymethyl)-2-nitrophenyl]morpholine-2-carbonitrile
CID 133437639
2-(furan-2-yl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine
CID 133347026
4-(6-amino-5-nitropyrimidin-4-yl)morpholine-2-carbonitrile
CID 80850134
ethyl 6-(2-cyanomorpholin-4-yl)pyridine-3-carboxylate
CID 78946431
4-(3-bromo-5-methyl-2-pyridinyl)morpholine-2-carbonitrile
CID 105366531

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-4-nitro-2-pyridinyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(5-methyl-4-nitro-2-pyridinyl)morpholine-2-carbonitrile (CID 83268548) is 4-(5-methyl-4-nitro-2-pyridinyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(5-methyl-4-nitro-2-pyridinyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(5-methyl-4-nitro-2-pyridinyl)morpholine-2-carbonitrile is Cc1cnc(N2CCOC(C#N)C2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(5-methyl-4-nitro-2-pyridinyl)morpholine-2-carbonitrile?
The InChIKey is GXMACZDAJHEYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-8-6-13-11(4-10(8)15(16)17)14-2-3-18-9(5-12)7-14/h4,6,9H,2-3,7H2,1H3.
What are the key properties of 4-(5-methyl-4-nitro-2-pyridinyl)morpholine-2-carbonitrile?
4-(5-methyl-4-nitro-2-pyridinyl)morpholine-2-carbonitrile has a molecular weight of 248.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-4-nitro-2-pyridinyl)morpholine-2-carbonitrile is sourced from PubChem (CID 83268548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).