pyridine-3,5-dicarboxylic acid;hydrochloride

C7H6ClNO4 — CID 66910809

IUPACpyridine-3,5-dicarboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cncc(C(=O)O)c1
InChIInChI=1S/C7H5NO4.ClH/c9-6(10)4-1-5(7(11)12)3-8-2-4;/h1-3H,(H,9,10)(H,11,12);1H
InChIKeyKUBJWQYTMSJZDO-UHFFFAOYSA-N
MW203.58 g/mol
LogP0.90
Rot. Bonds2

About pyridine-3,5-dicarboxylic acid;hydrochloride

pyridine-3,5-dicarboxylic acid;hydrochloride (PubChem CID 66910809) has the molecular formula C7H6ClNO4 and a molecular weight of 203.58 g/mol. Its IUPAC name is pyridine-3,5-dicarboxylic acid;hydrochloride.

Molecular Properties

Compound Namepyridine-3,5-dicarboxylic acid;hydrochloride
PubChem CID66910809
Molecular FormulaC7H6ClNO4
Molecular Weight203.58 g/mol
Exact Mass203.00
IUPAC Namepyridine-3,5-dicarboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cncc(C(=O)O)c1
InChIInChI=1S/C7H5NO4.ClH/c9-6(10)4-1-5(7(11)12)3-8-2-4;/h1-3H,(H,9,10)(H,11,12);1H
InChIKeyKUBJWQYTMSJZDO-UHFFFAOYSA-N
XLogP0.90
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.58
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridine-3,5-dicarboxylic acid;hydrochloride?
The IUPAC name of pyridine-3,5-dicarboxylic acid;hydrochloride (CID 66910809) is pyridine-3,5-dicarboxylic acid;hydrochloride.
What is the SMILES notation for pyridine-3,5-dicarboxylic acid;hydrochloride?
The canonical SMILES for pyridine-3,5-dicarboxylic acid;hydrochloride is Cl.O=C(O)c1cncc(C(=O)O)c1.
What is the InChIKey of pyridine-3,5-dicarboxylic acid;hydrochloride?
The InChIKey is KUBJWQYTMSJZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO4.ClH/c9-6(10)4-1-5(7(11)12)3-8-2-4;/h1-3H,(H,9,10)(H,11,12);1H.
What are the key properties of pyridine-3,5-dicarboxylic acid;hydrochloride?
pyridine-3,5-dicarboxylic acid;hydrochloride has a molecular weight of 203.58 g/mol, XLogP of 0.90, 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;hydrochloride is sourced from PubChem (CID 66910809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).