sodium 4-(2-hydroxyethyl)-6-phenylpyridine-3-carboxylate

C14H12NNaO3 — CID 142681670

IUPACsodium 4-(2-hydroxyethyl)-6-phenylpyridine-3-carboxylate
SMILESO=C([O-])c1cnc(-c2ccccc2)cc1CCO.[Na+]
InChIInChI=1S/C14H13NO3.Na/c16-7-6-11-8-13(10-4-2-1-3-5-10)15-9-12(11)14(17)18;/h1-5,8-9,16H,6-7H2,(H,17,18);/q;+1/p-1
InChIKeyLZRWILHJQJXLJP-UHFFFAOYSA-M
MW265.24 g/mol
LogP-2.35
Rot. Bonds4

About sodium 4-(2-hydroxyethyl)-6-phenylpyridine-3-carboxylate

sodium 4-(2-hydroxyethyl)-6-phenylpyridine-3-carboxylate (PubChem CID 142681670) has the molecular formula C14H12NNaO3 and a molecular weight of 265.24 g/mol. Its IUPAC name is sodium 4-(2-hydroxyethyl)-6-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Namesodium 4-(2-hydroxyethyl)-6-phenylpyridine-3-carboxylate
PubChem CID142681670
Molecular FormulaC14H12NNaO3
Molecular Weight265.24 g/mol
Exact Mass265.07
IUPAC Namesodium 4-(2-hydroxyethyl)-6-phenylpyridine-3-carboxylate
SMILESO=C([O-])c1cnc(-c2ccccc2)cc1CCO.[Na+]
InChIInChI=1S/C14H13NO3.Na/c16-7-6-11-8-13(10-4-2-1-3-5-10)15-9-12(11)14(17)18;/h1-5,8-9,16H,6-7H2,(H,17,18);/q;+1/p-1
InChIKeyLZRWILHJQJXLJP-UHFFFAOYSA-M
XLogP-2.35
TPSA73.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 5-2.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

disodium;4,5-diphenylphthalate
CID 134868371
sodium 2-phenylquinoline-4-carboxylate
CID 23691042
4,6-bis(2-hydroxyethyl)benzene-1,3-dicarboxylic acid
CID 139624390
potassium 4-(2-hydroxyethyl)pyridine-3-carboxylate
CID 142681669
ethanol;bis(europium(3+));hexakis(2-phenylquinoline-4-carboxylate)
CID 139141812
2-(2-phenyl-4-pyridinyl)ethanol
CID 117001628
methyl 6-phenyl-4-prop-2-ynylpyridine-3-carboxylate
CID 177153446
azulene-1,3-dicarboxylate
CID 140764257
2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
CID 3109026
disodium;4-phenylphthalate
CID 134868344
4-(bromomethyl)-6-phenylpyridin-3-ol
CID 131609639
6-bromo-2-phenylquinoline-4-carboxylate
CID 6974957

Frequently Asked Questions

What is the IUPAC name of sodium 4-(2-hydroxyethyl)-6-phenylpyridine-3-carboxylate?
The IUPAC name of sodium 4-(2-hydroxyethyl)-6-phenylpyridine-3-carboxylate (CID 142681670) is sodium 4-(2-hydroxyethyl)-6-phenylpyridine-3-carboxylate.
What is the SMILES notation for sodium 4-(2-hydroxyethyl)-6-phenylpyridine-3-carboxylate?
The canonical SMILES for sodium 4-(2-hydroxyethyl)-6-phenylpyridine-3-carboxylate is O=C([O-])c1cnc(-c2ccccc2)cc1CCO.[Na+].
What is the InChIKey of sodium 4-(2-hydroxyethyl)-6-phenylpyridine-3-carboxylate?
The InChIKey is LZRWILHJQJXLJP-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13NO3.Na/c16-7-6-11-8-13(10-4-2-1-3-5-10)15-9-12(11)14(17)18;/h1-5,8-9,16H,6-7H2,(H,17,18);/q;+1/p-1.
What are the key properties of sodium 4-(2-hydroxyethyl)-6-phenylpyridine-3-carboxylate?
sodium 4-(2-hydroxyethyl)-6-phenylpyridine-3-carboxylate has a molecular weight of 265.24 g/mol, XLogP of -2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-(2-hydroxyethyl)-6-phenylpyridine-3-carboxylate is sourced from PubChem (CID 142681670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).