pyridine-2,6-dicarboxylic acid;pyridine-3,4-dicarboxylic acid

C14H10N2O8 — CID 161251773

IUPACpyridine-2,6-dicarboxylic acid;pyridine-3,4-dicarboxylic acid
SMILESO=C(O)c1cccc(C(=O)O)n1.O=C(O)c1ccncc1C(=O)O
InChIInChI=1S/2C7H5NO4/c9-6(10)4-1-2-8-3-5(4)7(11)12;9-6(10)4-2-1-3-5(8-4)7(11)12/h2*1-3H,(H,9,10)(H,11,12)
InChIKeyVBJDFKYHWDGSRP-UHFFFAOYSA-N
MW334.24 g/mol
LogP0.96
Rot. Bonds4

About pyridine-2,6-dicarboxylic acid;pyridine-3,4-dicarboxylic acid

pyridine-2,6-dicarboxylic acid;pyridine-3,4-dicarboxylic acid (PubChem CID 161251773) has the molecular formula C14H10N2O8 and a molecular weight of 334.24 g/mol. Its IUPAC name is pyridine-2,6-dicarboxylic acid;pyridine-3,4-dicarboxylic acid.

Molecular Properties

Compound Namepyridine-2,6-dicarboxylic acid;pyridine-3,4-dicarboxylic acid
PubChem CID161251773
Molecular FormulaC14H10N2O8
Molecular Weight334.24 g/mol
Exact Mass334.04
IUPAC Namepyridine-2,6-dicarboxylic acid;pyridine-3,4-dicarboxylic acid
SMILESO=C(O)c1cccc(C(=O)O)n1.O=C(O)c1ccncc1C(=O)O
InChIInChI=1S/2C7H5NO4/c9-6(10)4-1-2-8-3-5(4)7(11)12;9-6(10)4-2-1-3-5(8-4)7(11)12/h2*1-3H,(H,9,10)(H,11,12)
InChIKeyVBJDFKYHWDGSRP-UHFFFAOYSA-N
XLogP0.96
TPSA174.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

pyridine-3,4-dicarboxylic acid;dihydrochloride
CID 70421739
CID 91986542
CID 91986542
3-acetylpyridine-4-carboxylic acid
CID 19902844
4-iodopyridine-3-carboxylic acid
CID 818279
3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid
CID 91435588
4-(methylcarbamoyl)pyridine-3-carboxylic acid
CID 130493888
6-[methyl(pyridin-4-yl)carbamoyl]pyridine-2-carboxylic acid
CID 106936576
4-fluoropyridine-3-carboxylic acid
CID 2762936
6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442
4-(4-fluorobenzoyl)pyridine-3-carboxylic acid
CID 10752867
1,6-naphthyridine-2-carboxylic acid;hydrochloride
CID 170943375
4-(2-iodoethyl)pyridine-3-carboxylic acid
CID 174800330

Frequently Asked Questions

What is the IUPAC name of pyridine-2,6-dicarboxylic acid;pyridine-3,4-dicarboxylic acid?
The IUPAC name of pyridine-2,6-dicarboxylic acid;pyridine-3,4-dicarboxylic acid (CID 161251773) is pyridine-2,6-dicarboxylic acid;pyridine-3,4-dicarboxylic acid.
What is the SMILES notation for pyridine-2,6-dicarboxylic acid;pyridine-3,4-dicarboxylic acid?
The canonical SMILES for pyridine-2,6-dicarboxylic acid;pyridine-3,4-dicarboxylic acid is O=C(O)c1cccc(C(=O)O)n1.O=C(O)c1ccncc1C(=O)O.
What is the InChIKey of pyridine-2,6-dicarboxylic acid;pyridine-3,4-dicarboxylic acid?
The InChIKey is VBJDFKYHWDGSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H5NO4/c9-6(10)4-1-2-8-3-5(4)7(11)12;9-6(10)4-2-1-3-5(8-4)7(11)12/h2*1-3H,(H,9,10)(H,11,12).
What are the key properties of pyridine-2,6-dicarboxylic acid;pyridine-3,4-dicarboxylic acid?
pyridine-2,6-dicarboxylic acid;pyridine-3,4-dicarboxylic acid has a molecular weight of 334.24 g/mol, XLogP of 0.96, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-2,6-dicarboxylic acid;pyridine-3,4-dicarboxylic acid is sourced from PubChem (CID 161251773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).