4-(4-iodo-3-nitrophenyl)morpholine

C10H11IN2O3 — CID 121330336

IUPAC4-(4-iodo-3-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1cc(N2CCOCC2)ccc1I
InChIInChI=1S/C10H11IN2O3/c11-9-2-1-8(7-10(9)13(14)15)12-3-5-16-6-4-12/h1-2,7H,3-6H2
InChIKeyFFWHADAWVJTVMG-UHFFFAOYSA-N
MW334.11 g/mol
LogP2.04
Rot. Bonds2

About 4-(4-iodo-3-nitrophenyl)morpholine

4-(4-iodo-3-nitrophenyl)morpholine (PubChem CID 121330336) has the molecular formula C10H11IN2O3 and a molecular weight of 334.11 g/mol. Its IUPAC name is 4-(4-iodo-3-nitrophenyl)morpholine.

Molecular Properties

Compound Name4-(4-iodo-3-nitrophenyl)morpholine
PubChem CID121330336
Molecular FormulaC10H11IN2O3
Molecular Weight334.11 g/mol
Exact Mass333.98
IUPAC Name4-(4-iodo-3-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1cc(N2CCOCC2)ccc1I
InChIInChI=1S/C10H11IN2O3/c11-9-2-1-8(7-10(9)13(14)15)12-3-5-16-6-4-12/h1-2,7H,3-6H2
InChIKeyFFWHADAWVJTVMG-UHFFFAOYSA-N
XLogP2.04
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.11
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'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-(4-ethenyl-3-nitrophenyl)morpholine
CID 141147402
1-(4-morpholin-4-yl-2-nitrophenyl)ethanone
CID 104529500
(4-morpholin-4-yl-2-nitrophenyl) carbamate
CID 175004808
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-(2-nitro-5-piperazin-1-ylphenyl)morpholine;hydrochloride
CID 17354179
4-[3-(chloromethyl)-4-nitrophenyl]-1,4-oxazepane
CID 114057867
4-(3-benzyl-4-nitrophenyl)morpholine
CID 58425611
N-(2,2-dimethylpropyl)-5-morpholin-4-yl-2-nitroaniline
CID 2959576
2-[(4-morpholin-4-yl-2-nitrobenzoyl)amino]acetic acid
CID 2383716
(E)-3-(5-morpholin-4-yl-2-nitrophenyl)prop-2-enoic acid
CID 71628737

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodo-3-nitrophenyl)morpholine?
The IUPAC name of 4-(4-iodo-3-nitrophenyl)morpholine (CID 121330336) is 4-(4-iodo-3-nitrophenyl)morpholine.
What is the SMILES notation for 4-(4-iodo-3-nitrophenyl)morpholine?
The canonical SMILES for 4-(4-iodo-3-nitrophenyl)morpholine is O=[N+]([O-])c1cc(N2CCOCC2)ccc1I.
What is the InChIKey of 4-(4-iodo-3-nitrophenyl)morpholine?
The InChIKey is FFWHADAWVJTVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2O3/c11-9-2-1-8(7-10(9)13(14)15)12-3-5-16-6-4-12/h1-2,7H,3-6H2.
What are the key properties of 4-(4-iodo-3-nitrophenyl)morpholine?
4-(4-iodo-3-nitrophenyl)morpholine has a molecular weight of 334.11 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodo-3-nitrophenyl)morpholine is sourced from PubChem (CID 121330336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).