2-(furan-2-yl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine

C14H15N3O4 — CID 133347026

IUPAC2-(furan-2-yl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine
SMILESCc1cc(N2CCOC(c3ccco3)C2)ncc1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O4/c1-10-7-14(15-8-11(10)17(18)19)16-4-6-21-13(9-16)12-3-2-5-20-12/h2-3,5,7-8,13H,4,6,9H2,1H3
InChIKeyAAGAMASLMDJIKQ-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.47
Rot. Bonds3

About 2-(furan-2-yl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine

2-(furan-2-yl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine (PubChem CID 133347026) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine.

Molecular Properties

Compound Name2-(furan-2-yl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine
PubChem CID133347026
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-(furan-2-yl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine
SMILESCc1cc(N2CCOC(c3ccco3)C2)ncc1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O4/c1-10-7-14(15-8-11(10)17(18)19)16-4-6-21-13(9-16)12-3-2-5-20-12/h2-3,5,7-8,13H,4,6,9H2,1H3
InChIKeyAAGAMASLMDJIKQ-UHFFFAOYSA-N
XLogP2.47
TPSA81.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.47
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

2-(3-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine
CID 133343722
2-[2-(furan-2-yl)morpholin-4-yl]-5-nitropyridine-3-carboxamide
CID 133347183
6-[2-(furan-2-yl)morpholin-4-yl]-N-methylpyridine-3-sulfonamide
CID 133347305
4-[2-(furan-2-yl)morpholin-4-yl]-N-methyl-3-nitrobenzenesulfonamide
CID 133347277
(3R)-N-ethyl-N-methyl-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-amine
CID 99791620
2-(furan-2-yl)-4-(3-methylsulfonyl-2-nitrophenyl)morpholine
CID 133414362
1-[1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanamine
CID 103976623
4-[2-(furan-2-yl)morpholin-4-yl]-3-nitro-N-phenylbenzenesulfonamide
CID 133347046
1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 79173009
4-(5-methyl-4-nitro-2-pyridinyl)morpholine-2-carbonitrile
CID 83268548
ethyl 3-fluoro-2-[2-(furan-2-yl)morpholin-4-yl]-5-nitrobenzoate
CID 133347272
N-ethyl-6-[2-(furan-2-yl)morpholin-4-yl]-N-phenylpyridine-3-sulfonamide
CID 133347267

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine?
The IUPAC name of 2-(furan-2-yl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine (CID 133347026) is 2-(furan-2-yl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine.
What is the SMILES notation for 2-(furan-2-yl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine?
The canonical SMILES for 2-(furan-2-yl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine is Cc1cc(N2CCOC(c3ccco3)C2)ncc1[N+](=O)[O-].
What is the InChIKey of 2-(furan-2-yl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine?
The InChIKey is AAGAMASLMDJIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-10-7-14(15-8-11(10)17(18)19)16-4-6-21-13(9-16)12-3-2-5-20-12/h2-3,5,7-8,13H,4,6,9H2,1H3.
What are the key properties of 2-(furan-2-yl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine?
2-(furan-2-yl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine has a molecular weight of 289.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine is sourced from PubChem (CID 133347026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).