5-(3-bromo-1,2-dihydroxypropyl)-2-hydroxybenzamide

C10H12BrNO4 — CID 171860447

IUPAC5-(3-bromo-1,2-dihydroxypropyl)-2-hydroxybenzamide
SMILESNC(=O)c1cc(C(O)C(O)CBr)ccc1O
InChIInChI=1S/C10H12BrNO4/c11-4-8(14)9(15)5-1-2-7(13)6(3-5)10(12)16/h1-3,8-9,13-15H,4H2,(H2,12,16)
InChIKeySAPZYSIMCGPICU-UHFFFAOYSA-N
MW290.11 g/mol
LogP0.28
Rot. Bonds4

About 5-(3-bromo-1,2-dihydroxypropyl)-2-hydroxybenzamide

5-(3-bromo-1,2-dihydroxypropyl)-2-hydroxybenzamide (PubChem CID 171860447) has the molecular formula C10H12BrNO4 and a molecular weight of 290.11 g/mol. Its IUPAC name is 5-(3-bromo-1,2-dihydroxypropyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-(3-bromo-1,2-dihydroxypropyl)-2-hydroxybenzamide
PubChem CID171860447
Molecular FormulaC10H12BrNO4
Molecular Weight290.11 g/mol
Exact Mass288.99
IUPAC Name5-(3-bromo-1,2-dihydroxypropyl)-2-hydroxybenzamide
SMILESNC(=O)c1cc(C(O)C(O)CBr)ccc1O
InChIInChI=1S/C10H12BrNO4/c11-4-8(14)9(15)5-1-2-7(13)6(3-5)10(12)16/h1-3,8-9,13-15H,4H2,(H2,12,16)
InChIKeySAPZYSIMCGPICU-UHFFFAOYSA-N
XLogP0.28
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 50.28
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

5-[1,2-dihydroxy-3-(methylamino)propyl]-2-hydroxybenzamide
CID 171858406
4-(3-bromo-1,2-dihydroxypropyl)benzamide
CID 171860109
ethyl 3-(3-carbamoyl-4-hydroxyphenyl)-2,3-dihydroxypropanoate
CID 171866564
3-bromo-1-[4-hydroxy-3-(hydroxymethyl)phenyl]propane-1,2-diol
CID 171859840
5-[(1R)-1-aminoethyl]-2-hydroxybenzamide
CID 55255475
1-[5-(1,2-dihydroxy-3-sulfanylpropyl)-2-hydroxyphenyl]ethanone
CID 170820160
[4-(3-bromo-1,2-dihydroxypropyl)phenyl]urea
CID 171860379
3-bromo-1-(3-hydroxy-4-nitrophenyl)propane-1,2-diol
CID 171860481
1-(4-amino-3-methylphenyl)-3-bromopropane-1,2-diol
CID 171859705
1-[5-(4-chloro-1,2-dihydroxybutyl)-2-hydroxyphenyl]ethanone
CID 171894084
methyl 2-hydroxy-5-(1,2,3-trihydroxypropyl)benzoate
CID 170818438
1-[5-[1,2-dihydroxy-4-(methylamino)butyl]-2-hydroxyphenyl]ethanone
CID 171890501

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-1,2-dihydroxypropyl)-2-hydroxybenzamide?
The IUPAC name of 5-(3-bromo-1,2-dihydroxypropyl)-2-hydroxybenzamide (CID 171860447) is 5-(3-bromo-1,2-dihydroxypropyl)-2-hydroxybenzamide.
What is the SMILES notation for 5-(3-bromo-1,2-dihydroxypropyl)-2-hydroxybenzamide?
The canonical SMILES for 5-(3-bromo-1,2-dihydroxypropyl)-2-hydroxybenzamide is NC(=O)c1cc(C(O)C(O)CBr)ccc1O.
What is the InChIKey of 5-(3-bromo-1,2-dihydroxypropyl)-2-hydroxybenzamide?
The InChIKey is SAPZYSIMCGPICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO4/c11-4-8(14)9(15)5-1-2-7(13)6(3-5)10(12)16/h1-3,8-9,13-15H,4H2,(H2,12,16).
What are the key properties of 5-(3-bromo-1,2-dihydroxypropyl)-2-hydroxybenzamide?
5-(3-bromo-1,2-dihydroxypropyl)-2-hydroxybenzamide has a molecular weight of 290.11 g/mol, XLogP of 0.28, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-1,2-dihydroxypropyl)-2-hydroxybenzamide is sourced from PubChem (CID 171860447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).