pyridine-3,5-dicarboxylic acid;dihydrobromide

C7H7Br2NO4 — CID 139466512

IUPACpyridine-3,5-dicarboxylic acid;dihydrobromide
SMILESBr.Br.O=C(O)c1cncc(C(=O)O)c1
InChIInChI=1S/C7H5NO4.2BrH/c9-6(10)4-1-5(7(11)12)3-8-2-4;;/h1-3H,(H,9,10)(H,11,12);2*1H
InChIKeyNVHDGKWJEOIQFL-UHFFFAOYSA-N
MW328.94 g/mol
LogP1.63
Rot. Bonds2

About pyridine-3,5-dicarboxylic acid;dihydrobromide

pyridine-3,5-dicarboxylic acid;dihydrobromide (PubChem CID 139466512) has the molecular formula C7H7Br2NO4 and a molecular weight of 328.94 g/mol. Its IUPAC name is pyridine-3,5-dicarboxylic acid;dihydrobromide.

Molecular Properties

Compound Namepyridine-3,5-dicarboxylic acid;dihydrobromide
PubChem CID139466512
Molecular FormulaC7H7Br2NO4
Molecular Weight328.94 g/mol
Exact Mass326.87
IUPAC Namepyridine-3,5-dicarboxylic acid;dihydrobromide
SMILESBr.Br.O=C(O)c1cncc(C(=O)O)c1
InChIInChI=1S/C7H5NO4.2BrH/c9-6(10)4-1-5(7(11)12)3-8-2-4;;/h1-3H,(H,9,10)(H,11,12);2*1H
InChIKeyNVHDGKWJEOIQFL-UHFFFAOYSA-N
XLogP1.63
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.94
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

pyridine-3,5-dicarboxylic acid;hydrochloride
CID 66910809
5-hydroxypyridine-3-carboxylic acid;hydrate
CID 139205503
5-formyloxypyridine-3-carboxylic acid
CID 153455132
5-cyanopyridine-3-carboxylic acid
CID 22174782
5-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride
CID 139034068
5-[3-(dimethylamino)prop-2-enoyl]pyridine-3-carboxylic acid
CID 54113761
5-(2-bromoethyl)pyridine-3-carboxylic acid
CID 174535680
pyridine-3,5-dicarbonyl bromide
CID 139466513
azane;benzene-1,3,5-tricarboxylic acid
CID 172833509
benzene-1,3,5-tricarboxylic acid;europium
CID 172691407
benzene-1,3,5-tricarboxylic acid;vanadium
CID 166458102
tris(benzene-1,3,5-tricarboxylic acid);trihydrochloride
CID 66646410

Frequently Asked Questions

What is the IUPAC name of pyridine-3,5-dicarboxylic acid;dihydrobromide?
The IUPAC name of pyridine-3,5-dicarboxylic acid;dihydrobromide (CID 139466512) is pyridine-3,5-dicarboxylic acid;dihydrobromide.
What is the SMILES notation for pyridine-3,5-dicarboxylic acid;dihydrobromide?
The canonical SMILES for pyridine-3,5-dicarboxylic acid;dihydrobromide is Br.Br.O=C(O)c1cncc(C(=O)O)c1.
What is the InChIKey of pyridine-3,5-dicarboxylic acid;dihydrobromide?
The InChIKey is NVHDGKWJEOIQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO4.2BrH/c9-6(10)4-1-5(7(11)12)3-8-2-4;;/h1-3H,(H,9,10)(H,11,12);2*1H.
What are the key properties of pyridine-3,5-dicarboxylic acid;dihydrobromide?
pyridine-3,5-dicarboxylic acid;dihydrobromide has a molecular weight of 328.94 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-3,5-dicarboxylic acid;dihydrobromide is sourced from PubChem (CID 139466512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).