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

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Related Compounds

6-(3-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid
CID 14075336
1-methyl-6-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxylic acid
CID 14075377
ethyl 1-methyl-4-oxo-2,6-diphenylpyridine-3-carboxylate
CID 14075368
4-methoxy-1,2-dimethyl-5-phenylpyrrole-3-carboxylic acid
CID 67319956
(1,2-dimethyl-5-phenylpyrrol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 53016708
1-(2-hydroxyethyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid
CID 82085719
2,6-dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5-dione
CID 139056191
3-methyl-2,6-diphenyl-1-propylpyridin-4-one
CID 14517569
2-methyl-5-phenyl-1-(trifluoromethyl)pyrrole-3-carboxylic acid
CID 174421664
3-(benzenesulfonyl)-1,2-dimethyl-5-phenylpyrrole
CID 14006844
(1,2-dimethyl-5-phenylpyrrol-3-yl)methanamine
CID 82506137
2-methyl-1-(2-methylsulfanylethyl)-5-phenylpyrrole-3-carboxylic acid
CID 2736901

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).