pyridine-2-carboxylic acid;pyridine-4-carboxylic acid

C12H10N2O4 — CID 70268469

IUPACpyridine-2-carboxylic acid;pyridine-4-carboxylic acid
SMILESO=C(O)c1ccccn1.O=C(O)c1ccncc1
InChIInChI=1S/2C6H5NO2/c8-6(9)5-1-3-7-4-2-5;8-6(9)5-3-1-2-4-7-5/h2*1-4H,(H,8,9)
InChIKeyLKTYDKFBZNIRAA-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.56
Rot. Bonds2

About pyridine-2-carboxylic acid;pyridine-4-carboxylic acid

pyridine-2-carboxylic acid;pyridine-4-carboxylic acid (PubChem CID 70268469) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is pyridine-2-carboxylic acid;pyridine-4-carboxylic acid.

Molecular Properties

Compound Namepyridine-2-carboxylic acid;pyridine-4-carboxylic acid
PubChem CID70268469
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Namepyridine-2-carboxylic acid;pyridine-4-carboxylic acid
SMILESO=C(O)c1ccccn1.O=C(O)c1ccncc1
InChIInChI=1S/2C6H5NO2/c8-6(9)5-1-3-7-4-2-5;8-6(9)5-3-1-2-4-7-5/h2*1-4H,(H,8,9)
InChIKeyLKTYDKFBZNIRAA-UHFFFAOYSA-N
XLogP1.56
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of pyridine-2-carboxylic acid;pyridine-4-carboxylic acid?
The IUPAC name of pyridine-2-carboxylic acid;pyridine-4-carboxylic acid (CID 70268469) is pyridine-2-carboxylic acid;pyridine-4-carboxylic acid.
What is the SMILES notation for pyridine-2-carboxylic acid;pyridine-4-carboxylic acid?
The canonical SMILES for pyridine-2-carboxylic acid;pyridine-4-carboxylic acid is O=C(O)c1ccccn1.O=C(O)c1ccncc1.
What is the InChIKey of pyridine-2-carboxylic acid;pyridine-4-carboxylic acid?
The InChIKey is LKTYDKFBZNIRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5NO2/c8-6(9)5-1-3-7-4-2-5;8-6(9)5-3-1-2-4-7-5/h2*1-4H,(H,8,9).
What are the key properties of pyridine-2-carboxylic acid;pyridine-4-carboxylic acid?
pyridine-2-carboxylic acid;pyridine-4-carboxylic acid has a molecular weight of 246.22 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-2-carboxylic acid;pyridine-4-carboxylic acid is sourced from PubChem (CID 70268469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).