pyridine-3,5-dicarbonyl bromide

C7H3Br2NO2 — CID 139466513

IUPACpyridine-3,5-dicarbonyl bromide
SMILESO=C(Br)c1cncc(C(=O)Br)c1
InChIInChI=1S/C7H3Br2NO2/c8-6(11)4-1-5(7(9)12)3-10-2-4/h1-3H
InChIKeyYTOHRKQDEFKWDJ-UHFFFAOYSA-N
MW292.91 g/mol
LogP2.15
Rot. Bonds2

About pyridine-3,5-dicarbonyl bromide

pyridine-3,5-dicarbonyl bromide (PubChem CID 139466513) has the molecular formula C7H3Br2NO2 and a molecular weight of 292.91 g/mol. Its IUPAC name is pyridine-3,5-dicarbonyl bromide.

Molecular Properties

Compound Namepyridine-3,5-dicarbonyl bromide
PubChem CID139466513
Molecular FormulaC7H3Br2NO2
Molecular Weight292.91 g/mol
Exact Mass290.85
IUPAC Namepyridine-3,5-dicarbonyl bromide
SMILESO=C(Br)c1cncc(C(=O)Br)c1
InChIInChI=1S/C7H3Br2NO2/c8-6(11)4-1-5(7(9)12)3-10-2-4/h1-3H
InChIKeyYTOHRKQDEFKWDJ-UHFFFAOYSA-N
XLogP2.15
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.91
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

pyridine-3,5-dicarboxylic acid;hydrochloride
CID 66910809
pyridine-3,5-dicarboxylic acid;dihydrobromide
CID 139466512
bis(5-bromo-3-pyridinyl)methanone
CID 150630113
2-methyl-1-[5-(2-methylpropanoyl)-3-pyridinyl]propan-1-one
CID 59440305
dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449
1-(5-bromo-3-pyridinyl)ethanone
CID 820423
5-(2-bromoethyl)pyridine-3-carboxylic acid
CID 174535680
1-(5-acetyl-3-pyridinyl)-2-hydroxyethanone
CID 121458605
5-(2-bromoethyl)pyridine-3-carboxamide
CID 91033103
dibenzyl pyridine-3,5-dicarboxylate
CID 71230133
N'-benzoyl-5-bromopyridine-3-carbohydrazide
CID 40613239
5-hydroxypyridine-3-carboxylic acid;hydrate
CID 139205503

Frequently Asked Questions

What is the IUPAC name of pyridine-3,5-dicarbonyl bromide?
The IUPAC name of pyridine-3,5-dicarbonyl bromide (CID 139466513) is pyridine-3,5-dicarbonyl bromide.
What is the SMILES notation for pyridine-3,5-dicarbonyl bromide?
The canonical SMILES for pyridine-3,5-dicarbonyl bromide is O=C(Br)c1cncc(C(=O)Br)c1.
What is the InChIKey of pyridine-3,5-dicarbonyl bromide?
The InChIKey is YTOHRKQDEFKWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2NO2/c8-6(11)4-1-5(7(9)12)3-10-2-4/h1-3H.
What are the key properties of pyridine-3,5-dicarbonyl bromide?
pyridine-3,5-dicarbonyl bromide has a molecular weight of 292.91 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-3,5-dicarbonyl bromide is sourced from PubChem (CID 139466513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).