pyridine-2-carboxylic acid

C24H20N4O8 — CID 158874034

IUPACpyridine-2-carboxylic acid
SMILESO=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1
InChIInChI=1S/4C6H5NO2/c4*8-6(9)5-3-1-2-4-7-5/h4*1-4H,(H,8,9)
InChIKeyJCFBPRLLELTBNM-UHFFFAOYSA-N
MW492.44 g/mol
LogP3.12
Rot. Bonds4

About pyridine-2-carboxylic acid

pyridine-2-carboxylic acid (PubChem CID 158874034) has the molecular formula C24H20N4O8 and a molecular weight of 492.44 g/mol. Its IUPAC name is pyridine-2-carboxylic acid.

Molecular Properties

Compound Namepyridine-2-carboxylic acid
PubChem CID158874034
Molecular FormulaC24H20N4O8
Molecular Weight492.44 g/mol
Exact Mass492.13
IUPAC Namepyridine-2-carboxylic acid
SMILESO=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1
InChIInChI=1S/4C6H5NO2/c4*8-6(9)5-3-1-2-4-7-5/h4*1-4H,(H,8,9)
InChIKeyJCFBPRLLELTBNM-UHFFFAOYSA-N
XLogP3.12
TPSA200.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.44
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of pyridine-2-carboxylic acid?
The IUPAC name of pyridine-2-carboxylic acid (CID 158874034) is pyridine-2-carboxylic acid.
What is the SMILES notation for pyridine-2-carboxylic acid?
The canonical SMILES for pyridine-2-carboxylic acid is O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.
What is the InChIKey of pyridine-2-carboxylic acid?
The InChIKey is JCFBPRLLELTBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H5NO2/c4*8-6(9)5-3-1-2-4-7-5/h4*1-4H,(H,8,9).
What are the key properties of pyridine-2-carboxylic acid?
pyridine-2-carboxylic acid has a molecular weight of 492.44 g/mol, XLogP of 3.12, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-2-carboxylic acid is sourced from PubChem (CID 158874034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).