sodium 2-pyridin-2-ylquinoline-4-carboxylate

C15H9N2NaO2 — CID 2818282

IUPACsodium 2-pyridin-2-ylquinoline-4-carboxylate
SMILESO=C([O-])c1cc(-c2ccccn2)nc2ccccc12.[Na+]
InChIInChI=1S/C15H10N2O2.Na/c18-15(19)11-9-14(13-7-3-4-8-16-13)17-12-6-2-1-5-10(11)12;/h1-9H,(H,18,19);/q;+1/p-1
InChIKeyWNPXALSHJIZPBB-UHFFFAOYSA-M
MW272.24 g/mol
LogP-1.34
Rot. Bonds2

About sodium 2-pyridin-2-ylquinoline-4-carboxylate

sodium 2-pyridin-2-ylquinoline-4-carboxylate (PubChem CID 2818282) has the molecular formula C15H9N2NaO2 and a molecular weight of 272.24 g/mol. Its IUPAC name is sodium 2-pyridin-2-ylquinoline-4-carboxylate.

Molecular Properties

Compound Namesodium 2-pyridin-2-ylquinoline-4-carboxylate
PubChem CID2818282
Molecular FormulaC15H9N2NaO2
Molecular Weight272.24 g/mol
Exact Mass272.06
IUPAC Namesodium 2-pyridin-2-ylquinoline-4-carboxylate
SMILESO=C([O-])c1cc(-c2ccccn2)nc2ccccc12.[Na+]
InChIInChI=1S/C15H10N2O2.Na/c18-15(19)11-9-14(13-7-3-4-8-16-13)17-12-6-2-1-5-10(11)12;/h1-9H,(H,18,19);/q;+1/p-1
InChIKeyWNPXALSHJIZPBB-UHFFFAOYSA-M
XLogP-1.34
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 5-1.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 2-pyridin-2-ylquinoline-4-carboxylate?
The IUPAC name of sodium 2-pyridin-2-ylquinoline-4-carboxylate (CID 2818282) is sodium 2-pyridin-2-ylquinoline-4-carboxylate.
What is the SMILES notation for sodium 2-pyridin-2-ylquinoline-4-carboxylate?
The canonical SMILES for sodium 2-pyridin-2-ylquinoline-4-carboxylate is O=C([O-])c1cc(-c2ccccn2)nc2ccccc12.[Na+].
What is the InChIKey of sodium 2-pyridin-2-ylquinoline-4-carboxylate?
The InChIKey is WNPXALSHJIZPBB-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H10N2O2.Na/c18-15(19)11-9-14(13-7-3-4-8-16-13)17-12-6-2-1-5-10(11)12;/h1-9H,(H,18,19);/q;+1/p-1.
What are the key properties of sodium 2-pyridin-2-ylquinoline-4-carboxylate?
sodium 2-pyridin-2-ylquinoline-4-carboxylate has a molecular weight of 272.24 g/mol, XLogP of -1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-pyridin-2-ylquinoline-4-carboxylate is sourced from PubChem (CID 2818282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).