sodium;1,2-dimethyl-4-oxo-6-phenylpyridine-3-carboxylic acid;hydride

C14H14NNaO3 — CID 173391931

IUPACsodium;1,2-dimethyl-4-oxo-6-phenylpyridine-3-carboxylic acid;hydride
SMILESCc1c(C(=O)O)c(=O)cc(-c2ccccc2)n1C.[H-].[Na+]
InChIInChI=1S/C14H13NO3.Na.H/c1-9-13(14(17)18)12(16)8-11(15(9)2)10-6-4-3-5-7-10;;/h3-8H,1-2H3,(H,17,18);;/q;+1;-1
InChIKeyYQOVWVYWUQHWPJ-UHFFFAOYSA-N
MW267.26 g/mol
LogP-0.82
Rot. Bonds2

About sodium;1,2-dimethyl-4-oxo-6-phenylpyridine-3-carboxylic acid;hydride

sodium;1,2-dimethyl-4-oxo-6-phenylpyridine-3-carboxylic acid;hydride (PubChem CID 173391931) has the molecular formula C14H14NNaO3 and a molecular weight of 267.26 g/mol. Its IUPAC name is sodium;1,2-dimethyl-4-oxo-6-phenylpyridine-3-carboxylic acid;hydride.

Molecular Properties

Compound Namesodium;1,2-dimethyl-4-oxo-6-phenylpyridine-3-carboxylic acid;hydride
PubChem CID173391931
Molecular FormulaC14H14NNaO3
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Namesodium;1,2-dimethyl-4-oxo-6-phenylpyridine-3-carboxylic acid;hydride
SMILESCc1c(C(=O)O)c(=O)cc(-c2ccccc2)n1C.[H-].[Na+]
InChIInChI=1S/C14H13NO3.Na.H/c1-9-13(14(17)18)12(16)8-11(15(9)2)10-6-4-3-5-7-10;;/h3-8H,1-2H3,(H,17,18);;/q;+1;-1
InChIKeyYQOVWVYWUQHWPJ-UHFFFAOYSA-N
XLogP-0.82
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze sodium;1,2-dimethyl-4-oxo-6-phenylpyridine-3-carboxylic acid;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium;1,2-dimethyl-4-oxo-6-phenylpyridine-3-carboxylic acid;hydride?
The IUPAC name of sodium;1,2-dimethyl-4-oxo-6-phenylpyridine-3-carboxylic acid;hydride (CID 173391931) is sodium;1,2-dimethyl-4-oxo-6-phenylpyridine-3-carboxylic acid;hydride.
What is the SMILES notation for sodium;1,2-dimethyl-4-oxo-6-phenylpyridine-3-carboxylic acid;hydride?
The canonical SMILES for sodium;1,2-dimethyl-4-oxo-6-phenylpyridine-3-carboxylic acid;hydride is Cc1c(C(=O)O)c(=O)cc(-c2ccccc2)n1C.[H-].[Na+].
What is the InChIKey of sodium;1,2-dimethyl-4-oxo-6-phenylpyridine-3-carboxylic acid;hydride?
The InChIKey is YQOVWVYWUQHWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3.Na.H/c1-9-13(14(17)18)12(16)8-11(15(9)2)10-6-4-3-5-7-10;;/h3-8H,1-2H3,(H,17,18);;/q;+1;-1.
What are the key properties of sodium;1,2-dimethyl-4-oxo-6-phenylpyridine-3-carboxylic acid;hydride?
sodium;1,2-dimethyl-4-oxo-6-phenylpyridine-3-carboxylic acid;hydride has a molecular weight of 267.26 g/mol, XLogP of -0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1,2-dimethyl-4-oxo-6-phenylpyridine-3-carboxylic acid;hydride is sourced from PubChem (CID 173391931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).