sodium pyridine-3-carboxylate

C6H4NNaO2 — CID 23687810

IUPACsodium pyridine-3-carboxylate
SMILESO=C([O-])c1cccnc1.[Na+]
InChIInChI=1S/C6H5NO2.Na/c8-6(9)5-2-1-3-7-4-5;/h1-4H,(H,8,9);/q;+1/p-1
InChIKeyKFLRWGSAMLBHBV-UHFFFAOYSA-M
MW145.09 g/mol
LogP-3.55
Rot. Bonds1

About sodium pyridine-3-carboxylate

sodium pyridine-3-carboxylate (PubChem CID 23687810) has the molecular formula C6H4NNaO2 and a molecular weight of 145.09 g/mol. Its IUPAC name is sodium pyridine-3-carboxylate.

Molecular Properties

Compound Namesodium pyridine-3-carboxylate
PubChem CID23687810
Molecular FormulaC6H4NNaO2
Molecular Weight145.09 g/mol
Exact Mass145.01
IUPAC Namesodium pyridine-3-carboxylate
SMILESO=C([O-])c1cccnc1.[Na+]
InChIInChI=1S/C6H5NO2.Na/c8-6(9)5-2-1-3-7-4-5;/h1-4H,(H,8,9);/q;+1/p-1
InChIKeyKFLRWGSAMLBHBV-UHFFFAOYSA-M
XLogP-3.55
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.09
LogP ≤ 5-3.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium pyridine-3-carboxylate?
The IUPAC name of sodium pyridine-3-carboxylate (CID 23687810) is sodium pyridine-3-carboxylate.
What is the SMILES notation for sodium pyridine-3-carboxylate?
The canonical SMILES for sodium pyridine-3-carboxylate is O=C([O-])c1cccnc1.[Na+].
What is the InChIKey of sodium pyridine-3-carboxylate?
The InChIKey is KFLRWGSAMLBHBV-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5NO2.Na/c8-6(9)5-2-1-3-7-4-5;/h1-4H,(H,8,9);/q;+1/p-1.
What are the key properties of sodium pyridine-3-carboxylate?
sodium pyridine-3-carboxylate has a molecular weight of 145.09 g/mol, XLogP of -3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium pyridine-3-carboxylate is sourced from PubChem (CID 23687810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).