6-(5-bromo-2-fluorophenyl)-2-methylmorpholine-3-carboxylic acid

C12H13BrFNO3 — CID 82970991

IUPAC6-(5-bromo-2-fluorophenyl)-2-methylmorpholine-3-carboxylic acid
SMILESCC1OC(c2cc(Br)ccc2F)CNC1C(=O)O
InChIInChI=1S/C12H13BrFNO3/c1-6-11(12(16)17)15-5-10(18-6)8-4-7(13)2-3-9(8)14/h2-4,6,10-11,15H,5H2,1H3,(H,16,17)
InChIKeyCSPPNPUFDOFIQO-UHFFFAOYSA-N
MW318.14 g/mol
LogP2.09
Rot. Bonds2

About 6-(5-bromo-2-fluorophenyl)-2-methylmorpholine-3-carboxylic acid

6-(5-bromo-2-fluorophenyl)-2-methylmorpholine-3-carboxylic acid (PubChem CID 82970991) has the molecular formula C12H13BrFNO3 and a molecular weight of 318.14 g/mol. Its IUPAC name is 6-(5-bromo-2-fluorophenyl)-2-methylmorpholine-3-carboxylic acid.

Molecular Properties

Compound Name6-(5-bromo-2-fluorophenyl)-2-methylmorpholine-3-carboxylic acid
PubChem CID82970991
Molecular FormulaC12H13BrFNO3
Molecular Weight318.14 g/mol
Exact Mass317.01
IUPAC Name6-(5-bromo-2-fluorophenyl)-2-methylmorpholine-3-carboxylic acid
SMILESCC1OC(c2cc(Br)ccc2F)CNC1C(=O)O
InChIInChI=1S/C12H13BrFNO3/c1-6-11(12(16)17)15-5-10(18-6)8-4-7(13)2-3-9(8)14/h2-4,6,10-11,15H,5H2,1H3,(H,16,17)
InChIKeyCSPPNPUFDOFIQO-UHFFFAOYSA-N
XLogP2.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.14
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(5-bromo-2-fluorophenyl)-2-methylmorpholine-3-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-(5-bromo-2-fluorophenyl)-5,6-dimethyl-1,4-oxazepane
CID 113484913
2-(5-bromo-2-fluorophenyl)cyclopentane-1-carboxylic acid
CID 81007752
2-(4-bromo-2-fluorophenyl)-5,7-dimethyl-1,4-oxazepane
CID 113376488
2-(5-bromo-2-fluorophenyl)cycloheptane-1-carboxylic acid
CID 81008326
3-(5-bromo-2-fluorophenyl)-7-methyl-1,4-thiazepane 1-oxide
CID 82972936
2-(5-bromo-2-fluorophenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82971062
3-(5-bromo-2-fluorophenyl)-2-methylcyclopentan-1-ol
CID 79740139
8-bromo-2-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 82970269
2-(5-bromo-2-fluorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine
CID 82970339
3-(5-bromo-2-methoxyphenyl)piperazine-2-carboxylic acid
CID 116829366
2-(5-bromo-2-fluorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane
CID 82956979
2-(5-bromo-2-fluorophenyl)-6-methyl-1,3-thiazinane
CID 66225572

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-fluorophenyl)-2-methylmorpholine-3-carboxylic acid?
The IUPAC name of 6-(5-bromo-2-fluorophenyl)-2-methylmorpholine-3-carboxylic acid (CID 82970991) is 6-(5-bromo-2-fluorophenyl)-2-methylmorpholine-3-carboxylic acid.
What is the SMILES notation for 6-(5-bromo-2-fluorophenyl)-2-methylmorpholine-3-carboxylic acid?
The canonical SMILES for 6-(5-bromo-2-fluorophenyl)-2-methylmorpholine-3-carboxylic acid is CC1OC(c2cc(Br)ccc2F)CNC1C(=O)O.
What is the InChIKey of 6-(5-bromo-2-fluorophenyl)-2-methylmorpholine-3-carboxylic acid?
The InChIKey is CSPPNPUFDOFIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO3/c1-6-11(12(16)17)15-5-10(18-6)8-4-7(13)2-3-9(8)14/h2-4,6,10-11,15H,5H2,1H3,(H,16,17).
What are the key properties of 6-(5-bromo-2-fluorophenyl)-2-methylmorpholine-3-carboxylic acid?
6-(5-bromo-2-fluorophenyl)-2-methylmorpholine-3-carboxylic acid has a molecular weight of 318.14 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-fluorophenyl)-2-methylmorpholine-3-carboxylic acid is sourced from PubChem (CID 82970991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).