4-(5-fluoro-4-iodo-2-nitrophenyl)morpholine-2-carboxylic acid

C11H10FIN2O5 — CID 66088671

IUPAC4-(5-fluoro-4-iodo-2-nitrophenyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(c2cc(F)c(I)cc2[N+](=O)[O-])CCO1
InChIInChI=1S/C11H10FIN2O5/c12-6-3-8(9(15(18)19)4-7(6)13)14-1-2-20-10(5-14)11(16)17/h3-4,10H,1-2,5H2,(H,16,17)
InChIKeyRQJLWLJDKMTMKB-UHFFFAOYSA-N
MW396.11 g/mol
LogP1.63
Rot. Bonds3

About 4-(5-fluoro-4-iodo-2-nitrophenyl)morpholine-2-carboxylic acid

4-(5-fluoro-4-iodo-2-nitrophenyl)morpholine-2-carboxylic acid (PubChem CID 66088671) has the molecular formula C11H10FIN2O5 and a molecular weight of 396.11 g/mol. Its IUPAC name is 4-(5-fluoro-4-iodo-2-nitrophenyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(5-fluoro-4-iodo-2-nitrophenyl)morpholine-2-carboxylic acid
PubChem CID66088671
Molecular FormulaC11H10FIN2O5
Molecular Weight396.11 g/mol
Exact Mass395.96
IUPAC Name4-(5-fluoro-4-iodo-2-nitrophenyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(c2cc(F)c(I)cc2[N+](=O)[O-])CCO1
InChIInChI=1S/C11H10FIN2O5/c12-6-3-8(9(15(18)19)4-7(6)13)14-1-2-20-10(5-14)11(16)17/h3-4,10H,1-2,5H2,(H,16,17)
InChIKeyRQJLWLJDKMTMKB-UHFFFAOYSA-N
XLogP1.63
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.11
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze 4-(5-fluoro-4-iodo-2-nitrophenyl)morpholine-2-carboxylic acid 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

2-[4-(5-fluoro-4-iodo-2-nitrophenyl)morpholin-2-yl]acetic acid
CID 66433636
1-(5-fluoro-4-iodo-2-nitrophenyl)azetidine-3-carboxylic acid
CID 66086940
1-(5-fluoro-4-iodo-2-nitrophenyl)pyrrolidin-3-ol
CID 66101666
2-[1-(5-fluoro-4-iodo-2-nitrophenyl)azetidin-3-yl]acetic acid
CID 66086945
1-(5-fluoro-4-iodo-2-nitrophenyl)-4-methylpiperidin-3-ol
CID 102959237
1-(5-fluoro-4-iodo-2-nitrophenyl)-3-methylpiperazine
CID 66086754
1-(5-fluoro-4-iodo-2-nitrophenyl)piperidin-3-amine
CID 66101647
2-[1-(5-fluoro-4-iodo-2-nitrophenyl)piperidin-3-yl]ethanol
CID 66101076
4-(3-chloro-2-nitrophenyl)morpholine-2-carboxylic acid
CID 104835149
4-(3-fluoro-4-nitrobenzoyl)morpholine-2-carboxylic acid
CID 62681609
7-(5-fluoro-4-iodo-2-nitrophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 66088682
2-fluoro-5-morpholin-4-yl-4-nitrobenzoic acid
CID 104699515

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-4-iodo-2-nitrophenyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(5-fluoro-4-iodo-2-nitrophenyl)morpholine-2-carboxylic acid (CID 66088671) is 4-(5-fluoro-4-iodo-2-nitrophenyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(5-fluoro-4-iodo-2-nitrophenyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(5-fluoro-4-iodo-2-nitrophenyl)morpholine-2-carboxylic acid is O=C(O)C1CN(c2cc(F)c(I)cc2[N+](=O)[O-])CCO1.
What is the InChIKey of 4-(5-fluoro-4-iodo-2-nitrophenyl)morpholine-2-carboxylic acid?
The InChIKey is RQJLWLJDKMTMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FIN2O5/c12-6-3-8(9(15(18)19)4-7(6)13)14-1-2-20-10(5-14)11(16)17/h3-4,10H,1-2,5H2,(H,16,17).
What are the key properties of 4-(5-fluoro-4-iodo-2-nitrophenyl)morpholine-2-carboxylic acid?
4-(5-fluoro-4-iodo-2-nitrophenyl)morpholine-2-carboxylic acid has a molecular weight of 396.11 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-4-iodo-2-nitrophenyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 66088671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).