4-(5-bromo-2-nitrophenyl)morpholine

C10H11BrN2O3 — CID 71651965

IUPAC4-(5-bromo-2-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1ccc(Br)cc1N1CCOCC1
InChIInChI=1S/C10H11BrN2O3/c11-8-1-2-9(13(14)15)10(7-8)12-3-5-16-6-4-12/h1-2,7H,3-6H2
InChIKeyRLKVWFFYIDGDOK-UHFFFAOYSA-N
MW287.11 g/mol
LogP2.19
Rot. Bonds2

About 4-(5-bromo-2-nitrophenyl)morpholine

4-(5-bromo-2-nitrophenyl)morpholine (PubChem CID 71651965) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is 4-(5-bromo-2-nitrophenyl)morpholine.

Molecular Properties

Compound Name4-(5-bromo-2-nitrophenyl)morpholine
PubChem CID71651965
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name4-(5-bromo-2-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1ccc(Br)cc1N1CCOCC1
InChIInChI=1S/C10H11BrN2O3/c11-8-1-2-9(13(14)15)10(7-8)12-3-5-16-6-4-12/h1-2,7H,3-6H2
InChIKeyRLKVWFFYIDGDOK-UHFFFAOYSA-N
XLogP2.19
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3-morpholin-4-yl-4-nitrophenyl)morpholine
CID 2829644
4-(2-nitro-5-propan-2-ylphenyl)morpholine
CID 155136667
4-(2-nitro-5-piperazin-1-ylphenyl)morpholine;hydrochloride
CID 17354179
4-(5-bromo-2-fluoro-4-nitrophenyl)morpholine
CID 2871883
1-(5-bromo-2-nitrophenyl)-4-but-3-ynylpiperazine
CID 133453624
4-(2,3-difluoro-4-nitrophenyl)morpholine
CID 58072318
1-[1-(5-bromo-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine
CID 65343117
4-morpholin-4-yl-5-nitrophthalic acid
CID 4615082
4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]morpholine
CID 2866183
4-bromo-1-methoxy-2-nitrobenzene;4-(4-methoxy-3-nitrophenyl)morpholine
CID 162166043
4-[5-(5-fluoropyrimidin-2-yl)-2-nitrophenyl]morpholine
CID 151690779
methyl 4-(5-bromo-2-nitrophenyl)morpholine-3-carboxylate
CID 104775288

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-nitrophenyl)morpholine?
The IUPAC name of 4-(5-bromo-2-nitrophenyl)morpholine (CID 71651965) is 4-(5-bromo-2-nitrophenyl)morpholine.
What is the SMILES notation for 4-(5-bromo-2-nitrophenyl)morpholine?
The canonical SMILES for 4-(5-bromo-2-nitrophenyl)morpholine is O=[N+]([O-])c1ccc(Br)cc1N1CCOCC1.
What is the InChIKey of 4-(5-bromo-2-nitrophenyl)morpholine?
The InChIKey is RLKVWFFYIDGDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c11-8-1-2-9(13(14)15)10(7-8)12-3-5-16-6-4-12/h1-2,7H,3-6H2.
What are the key properties of 4-(5-bromo-2-nitrophenyl)morpholine?
4-(5-bromo-2-nitrophenyl)morpholine has a molecular weight of 287.11 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-nitrophenyl)morpholine is sourced from PubChem (CID 71651965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).