pyridine-3-carboxylic acid

C6H5NO2 — CID 938

IUPACpyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1
InChIInChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
InChIKeyPVNIIMVLHYAWGP-UHFFFAOYSA-N
MW123.11 g/mol
LogP0.78
Rot. Bonds1

About pyridine-3-carboxylic acid

pyridine-3-carboxylic acid (PubChem CID 938) has the molecular formula C6H5NO2 and a molecular weight of 123.11 g/mol. Its IUPAC name is pyridine-3-carboxylic acid.

Molecular Properties

Compound Namepyridine-3-carboxylic acid
PubChem CID938
Molecular FormulaC6H5NO2
Molecular Weight123.11 g/mol
Exact Mass123.03
IUPAC Namepyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1
InChIInChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
InChIKeyPVNIIMVLHYAWGP-UHFFFAOYSA-N
XLogP0.78
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Quinolinic Acid
CID 1066
Trigonelline
CID 5570
Methyl Nicotinate
CID 7151
6-Chloronicotinic acid
CID 79222
Isonicotinic Acid
CID 5922
Ethyl Nicotinate
CID 69188
Benzyl Nicotinate
CID 7191
2,5-Pyridinedicarboxylic acid
CID 7493
2-Butoxyethyl 3-pyridinecarboxylate
CID 14866
Oxiniacic Acid
CID 16976
2-Chloronicotinic acid
CID 76258
Hexyl nicotinate
CID 90202

Frequently Asked Questions

What is the IUPAC name of pyridine-3-carboxylic acid?
The IUPAC name of pyridine-3-carboxylic acid (CID 938) is pyridine-3-carboxylic acid.
What is the SMILES notation for pyridine-3-carboxylic acid?
The canonical SMILES for pyridine-3-carboxylic acid is O=C(O)c1cccnc1.
What is the InChIKey of pyridine-3-carboxylic acid?
The InChIKey is PVNIIMVLHYAWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9).
What are the key properties of pyridine-3-carboxylic acid?
pyridine-3-carboxylic acid has a molecular weight of 123.11 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-3-carboxylic acid is sourced from PubChem (CID 938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).