bromomethane;2-hydroxypropane-1,2,3-tricarboxylic acid

C7H11BrO7 — CID 158369615

IUPACbromomethane;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESCBr.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.CH3Br/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3
InChIKeyGULIXLYSPKCBAQ-UHFFFAOYSA-N
MW287.06 g/mol
LogP-0.24
Rot. Bonds5

About bromomethane;2-hydroxypropane-1,2,3-tricarboxylic acid

bromomethane;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 158369615) has the molecular formula C7H11BrO7 and a molecular weight of 287.06 g/mol. Its IUPAC name is bromomethane;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Namebromomethane;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID158369615
Molecular FormulaC7H11BrO7
Molecular Weight287.06 g/mol
Exact Mass285.97
IUPAC Namebromomethane;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESCBr.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.CH3Br/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3
InChIKeyGULIXLYSPKCBAQ-UHFFFAOYSA-N
XLogP-0.24
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.06
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
CID 87382706
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 172729585
2-hydroxypropane-1,2,3-tricarboxylic acid;manganese
CID 90472972
2-hydroxypropane-1,2,3-tricarboxylic acid;tungsten
CID 89401463
silver 2-hydroxypropane-1,2,3-tricarboxylic acid
CID 11587493
hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 158473512
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
CID 163216326
CID 173004565
CID 173004565
CID 24997986
CID 24997986
2-hydroxypropane-1,2,3-tricarboxylic acid;molybdenum
CID 56836802
2-hydroxypropane-1,2,3-tricarboxylic acid;rhodium(2+)
CID 10469750
carbonic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 87148662

Frequently Asked Questions

What is the IUPAC name of bromomethane;2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of bromomethane;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 158369615) is bromomethane;2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for bromomethane;2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for bromomethane;2-hydroxypropane-1,2,3-tricarboxylic acid is CBr.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of bromomethane;2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is GULIXLYSPKCBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.CH3Br/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3.
What are the key properties of bromomethane;2-hydroxypropane-1,2,3-tricarboxylic acid?
bromomethane;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 287.06 g/mol, XLogP of -0.24, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 158369615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).