pyridine-2,6-dicarboxylic acid

C7H5NO4 — CID 10367

IUPACpyridine-2,6-dicarboxylic acid
SMILESO=C(O)c1cccc(C(=O)O)n1
InChIInChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChIKeyWJJMNDUMQPNECX-UHFFFAOYSA-N
MW167.12 g/mol
LogP0.48
Rot. Bonds2

About pyridine-2,6-dicarboxylic acid

pyridine-2,6-dicarboxylic acid (PubChem CID 10367) has the molecular formula C7H5NO4 and a molecular weight of 167.12 g/mol. Its IUPAC name is pyridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Namepyridine-2,6-dicarboxylic acid
PubChem CID10367
Molecular FormulaC7H5NO4
Molecular Weight167.12 g/mol
Exact Mass167.02
IUPAC Namepyridine-2,6-dicarboxylic acid
SMILESO=C(O)c1cccc(C(=O)O)n1
InChIInChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChIKeyWJJMNDUMQPNECX-UHFFFAOYSA-N
XLogP0.48
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.12
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Picolinic acid
CID 1018
Fusaric Acid
CID 3442
Clopyralid
CID 15553
6-Chloropicolinic acid
CID 20812
6-Methylpyridine-2-carboxylic acid
CID 70282
Diethyl dipicolinate
CID 254510
6-(Methoxycarbonyl)pyridine-2-carboxylic acid
CID 4019172
2-Pyridinecarboxylic acid, hydrochloride (1:1)
CID 71559
6-Methylpyridine-2,3-dicarboxylic acid
CID 542567
4-Chloro-2,6-pyridinedicarboxylic Acid
CID 304010
Pyridine-2-carboxylic acid 1-oxide
CID 69986
Dibutyl pyridine-2,6-dicarboxylate
CID 96561

Frequently Asked Questions

What is the IUPAC name of pyridine-2,6-dicarboxylic acid?
The IUPAC name of pyridine-2,6-dicarboxylic acid (CID 10367) is pyridine-2,6-dicarboxylic acid.
What is the SMILES notation for pyridine-2,6-dicarboxylic acid?
The canonical SMILES for pyridine-2,6-dicarboxylic acid is O=C(O)c1cccc(C(=O)O)n1.
What is the InChIKey of pyridine-2,6-dicarboxylic acid?
The InChIKey is WJJMNDUMQPNECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12).
What are the key properties of pyridine-2,6-dicarboxylic acid?
pyridine-2,6-dicarboxylic acid has a molecular weight of 167.12 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 10367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).