2,3-dihydroxybenzoyl bromide

C7H5BrO3 — CID 141115203

IUPAC2,3-dihydroxybenzoyl bromide
SMILESO=C(Br)c1cccc(O)c1O
InChIInChI=1S/C7H5BrO3/c8-7(11)4-2-1-3-5(9)6(4)10/h1-3,9-10H
InChIKeyUTHWMKPZAXIQLQ-UHFFFAOYSA-N
MW217.02 g/mol
LogP1.63
Rot. Bonds1

About 2,3-dihydroxybenzoyl bromide

2,3-dihydroxybenzoyl bromide (PubChem CID 141115203) has the molecular formula C7H5BrO3 and a molecular weight of 217.02 g/mol. Its IUPAC name is 2,3-dihydroxybenzoyl bromide.

Molecular Properties

Compound Name2,3-dihydroxybenzoyl bromide
PubChem CID141115203
Molecular FormulaC7H5BrO3
Molecular Weight217.02 g/mol
Exact Mass215.94
IUPAC Name2,3-dihydroxybenzoyl bromide
SMILESO=C(Br)c1cccc(O)c1O
InChIInChI=1S/C7H5BrO3/c8-7(11)4-2-1-3-5(9)6(4)10/h1-3,9-10H
InChIKeyUTHWMKPZAXIQLQ-UHFFFAOYSA-N
XLogP1.63
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.02
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-2-methylbenzoyl bromide
CID 141077853
(2,3-dihydroxybenzoyl) 2,3-dihydroxybenzenecarboperoxoate
CID 151078353
2-amino-1-(2,3-dihydroxyphenyl)ethanone
CID 89392484
2-(2-carbonobromidoylbenzoyl)benzoyl bromide
CID 19862066
(2,3-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
CID 14094133
benzene-1,2,3-triol
CID 87074018
2,3-dihydroxy-N-methylbenzohydrazide
CID 142945868
1-(2,3-dihydroxyphenyl)butan-1-one
CID 23094385
2,3-difluorobenzoyl bromide
CID 91168195
N,N-bis(cyclopropylmethyl)-2,3-dihydroxybenzamide
CID 114344418
N-[4-(2-bromoethyl)phenyl]-2,3-dihydroxybenzamide
CID 114345303
N-[[1-(bromomethyl)cyclopropyl]methyl]-2,3-dihydroxybenzamide
CID 114345330

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybenzoyl bromide?
The IUPAC name of 2,3-dihydroxybenzoyl bromide (CID 141115203) is 2,3-dihydroxybenzoyl bromide.
What is the SMILES notation for 2,3-dihydroxybenzoyl bromide?
The canonical SMILES for 2,3-dihydroxybenzoyl bromide is O=C(Br)c1cccc(O)c1O.
What is the InChIKey of 2,3-dihydroxybenzoyl bromide?
The InChIKey is UTHWMKPZAXIQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrO3/c8-7(11)4-2-1-3-5(9)6(4)10/h1-3,9-10H.
What are the key properties of 2,3-dihydroxybenzoyl bromide?
2,3-dihydroxybenzoyl bromide has a molecular weight of 217.02 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybenzoyl bromide is sourced from PubChem (CID 141115203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).