sodium 5-(4-chlorophenyl)-1,2,6-trimethyl-4-oxopyridine-3-carboxylate

C15H13ClNNaO3 — CID 23705012

IUPACsodium 5-(4-chlorophenyl)-1,2,6-trimethyl-4-oxopyridine-3-carboxylate
SMILESCc1c(C(=O)[O-])c(=O)c(-c2ccc(Cl)cc2)c(C)n1C.[Na+]
InChIInChI=1S/C15H14ClNO3.Na/c1-8-12(10-4-6-11(16)7-5-10)14(18)13(15(19)20)9(2)17(8)3;/h4-7H,1-3H3,(H,19,20);/q;+1/p-1
InChIKeyBYUXPZIUQPXBMD-UHFFFAOYSA-M
MW313.72 g/mol
LogP-1.31
Rot. Bonds2

About sodium 5-(4-chlorophenyl)-1,2,6-trimethyl-4-oxopyridine-3-carboxylate

sodium 5-(4-chlorophenyl)-1,2,6-trimethyl-4-oxopyridine-3-carboxylate (PubChem CID 23705012) has the molecular formula C15H13ClNNaO3 and a molecular weight of 313.72 g/mol. Its IUPAC name is sodium 5-(4-chlorophenyl)-1,2,6-trimethyl-4-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namesodium 5-(4-chlorophenyl)-1,2,6-trimethyl-4-oxopyridine-3-carboxylate
PubChem CID23705012
Molecular FormulaC15H13ClNNaO3
Molecular Weight313.72 g/mol
Exact Mass313.05
IUPAC Namesodium 5-(4-chlorophenyl)-1,2,6-trimethyl-4-oxopyridine-3-carboxylate
SMILESCc1c(C(=O)[O-])c(=O)c(-c2ccc(Cl)cc2)c(C)n1C.[Na+]
InChIInChI=1S/C15H14ClNO3.Na/c1-8-12(10-4-6-11(16)7-5-10)14(18)13(15(19)20)9(2)17(8)3;/h4-7H,1-3H3,(H,19,20);/q;+1/p-1
InChIKeyBYUXPZIUQPXBMD-UHFFFAOYSA-M
XLogP-1.31
TPSA62.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.72
LogP ≤ 5-1.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 5-(4-chlorophenyl)-1,2,6-trimethyl-4-oxopyridine-3-carboxylate?
The IUPAC name of sodium 5-(4-chlorophenyl)-1,2,6-trimethyl-4-oxopyridine-3-carboxylate (CID 23705012) is sodium 5-(4-chlorophenyl)-1,2,6-trimethyl-4-oxopyridine-3-carboxylate.
What is the SMILES notation for sodium 5-(4-chlorophenyl)-1,2,6-trimethyl-4-oxopyridine-3-carboxylate?
The canonical SMILES for sodium 5-(4-chlorophenyl)-1,2,6-trimethyl-4-oxopyridine-3-carboxylate is Cc1c(C(=O)[O-])c(=O)c(-c2ccc(Cl)cc2)c(C)n1C.[Na+].
What is the InChIKey of sodium 5-(4-chlorophenyl)-1,2,6-trimethyl-4-oxopyridine-3-carboxylate?
The InChIKey is BYUXPZIUQPXBMD-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H14ClNO3.Na/c1-8-12(10-4-6-11(16)7-5-10)14(18)13(15(19)20)9(2)17(8)3;/h4-7H,1-3H3,(H,19,20);/q;+1/p-1.
What are the key properties of sodium 5-(4-chlorophenyl)-1,2,6-trimethyl-4-oxopyridine-3-carboxylate?
sodium 5-(4-chlorophenyl)-1,2,6-trimethyl-4-oxopyridine-3-carboxylate has a molecular weight of 313.72 g/mol, XLogP of -1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-(4-chlorophenyl)-1,2,6-trimethyl-4-oxopyridine-3-carboxylate is sourced from PubChem (CID 23705012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).