4-(5-bromo-3-nitro-2-pyridinyl)-3-ethylmorpholine

C11H14BrN3O3 — CID 61375480

IUPAC4-(5-bromo-3-nitro-2-pyridinyl)-3-ethylmorpholine
SMILESCCC1COCCN1c1ncc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14BrN3O3/c1-2-9-7-18-4-3-14(9)11-10(15(16)17)5-8(12)6-13-11/h5-6,9H,2-4,7H2,1H3
InChIKeyAFASBIUFQZFOHU-UHFFFAOYSA-N
MW316.16 g/mol
LogP2.37
Rot. Bonds3

About 4-(5-bromo-3-nitro-2-pyridinyl)-3-ethylmorpholine

4-(5-bromo-3-nitro-2-pyridinyl)-3-ethylmorpholine (PubChem CID 61375480) has the molecular formula C11H14BrN3O3 and a molecular weight of 316.16 g/mol. Its IUPAC name is 4-(5-bromo-3-nitro-2-pyridinyl)-3-ethylmorpholine.

Molecular Properties

Compound Name4-(5-bromo-3-nitro-2-pyridinyl)-3-ethylmorpholine
PubChem CID61375480
Molecular FormulaC11H14BrN3O3
Molecular Weight316.16 g/mol
Exact Mass315.02
IUPAC Name4-(5-bromo-3-nitro-2-pyridinyl)-3-ethylmorpholine
SMILESCCC1COCCN1c1ncc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14BrN3O3/c1-2-9-7-18-4-3-14(9)11-10(15(16)17)5-8(12)6-13-11/h5-6,9H,2-4,7H2,1H3
InChIKeyAFASBIUFQZFOHU-UHFFFAOYSA-N
XLogP2.37
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(5-bromo-3-nitro-2-pyridinyl)-3-ethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(4-ethylpiperidin-1-yl)-3-nitropyridine
CID 61421763
4-(5-bromo-2-pyridinyl)-3-ethylmorpholine
CID 61375479
6-(3-ethylmorpholin-4-yl)-N-methyl-5-nitropyrimidin-4-amine
CID 80789029
[1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidin-2-yl]methyl acetate
CID 118393174
4-(5-bromo-3-nitro-2-pyridinyl)-2-methyl-1,4-oxazepane
CID 55140574
ethyl (2S)-1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 58324356
4-(5-bromo-3-nitro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885954
5-amino-2-(3-ethylmorpholin-4-yl)pyridine-3-carbonitrile
CID 54860718
1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 61230177
N-[[4-(5-bromo-3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
CID 103584045
(1R)-1-[4-(3-ethylmorpholin-4-yl)-3-nitrophenyl]ethanol
CID 63370957
5-bromo-2-(4-tert-butylpiperidin-1-yl)-3-nitropyridine
CID 62085266

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-nitro-2-pyridinyl)-3-ethylmorpholine?
The IUPAC name of 4-(5-bromo-3-nitro-2-pyridinyl)-3-ethylmorpholine (CID 61375480) is 4-(5-bromo-3-nitro-2-pyridinyl)-3-ethylmorpholine.
What is the SMILES notation for 4-(5-bromo-3-nitro-2-pyridinyl)-3-ethylmorpholine?
The canonical SMILES for 4-(5-bromo-3-nitro-2-pyridinyl)-3-ethylmorpholine is CCC1COCCN1c1ncc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 4-(5-bromo-3-nitro-2-pyridinyl)-3-ethylmorpholine?
The InChIKey is AFASBIUFQZFOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O3/c1-2-9-7-18-4-3-14(9)11-10(15(16)17)5-8(12)6-13-11/h5-6,9H,2-4,7H2,1H3.
What are the key properties of 4-(5-bromo-3-nitro-2-pyridinyl)-3-ethylmorpholine?
4-(5-bromo-3-nitro-2-pyridinyl)-3-ethylmorpholine has a molecular weight of 316.16 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-nitro-2-pyridinyl)-3-ethylmorpholine is sourced from PubChem (CID 61375480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).