sodium;5-(4-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid;hydride

C14H13ClNNaO3 — CID 173392011

IUPACsodium;5-(4-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid;hydride
SMILESCc1c(C(=O)O)c(=O)c(-c2ccc(Cl)cc2)cn1C.[H-].[Na+]
InChIInChI=1S/C14H12ClNO3.Na.H/c1-8-12(14(18)19)13(17)11(7-16(8)2)9-3-5-10(15)6-4-9;;/h3-7H,1-2H3,(H,18,19);;/q;+1;-1
InChIKeyXHTZCTLXPJXDGX-UHFFFAOYSA-N
MW301.70 g/mol
LogP-0.17
Rot. Bonds2

About sodium;5-(4-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid;hydride

sodium;5-(4-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid;hydride (PubChem CID 173392011) has the molecular formula C14H13ClNNaO3 and a molecular weight of 301.70 g/mol. Its IUPAC name is sodium;5-(4-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid;hydride.

Molecular Properties

Compound Namesodium;5-(4-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid;hydride
PubChem CID173392011
Molecular FormulaC14H13ClNNaO3
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Namesodium;5-(4-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid;hydride
SMILESCc1c(C(=O)O)c(=O)c(-c2ccc(Cl)cc2)cn1C.[H-].[Na+]
InChIInChI=1S/C14H12ClNO3.Na.H/c1-8-12(14(18)19)13(17)11(7-16(8)2)9-3-5-10(15)6-4-9;;/h3-7H,1-2H3,(H,18,19);;/q;+1;-1
InChIKeyXHTZCTLXPJXDGX-UHFFFAOYSA-N
XLogP-0.17
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium;5-(4-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid;hydride?
The IUPAC name of sodium;5-(4-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid;hydride (CID 173392011) is sodium;5-(4-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid;hydride.
What is the SMILES notation for sodium;5-(4-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid;hydride?
The canonical SMILES for sodium;5-(4-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid;hydride is Cc1c(C(=O)O)c(=O)c(-c2ccc(Cl)cc2)cn1C.[H-].[Na+].
What is the InChIKey of sodium;5-(4-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid;hydride?
The InChIKey is XHTZCTLXPJXDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3.Na.H/c1-8-12(14(18)19)13(17)11(7-16(8)2)9-3-5-10(15)6-4-9;;/h3-7H,1-2H3,(H,18,19);;/q;+1;-1.
What are the key properties of sodium;5-(4-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid;hydride?
sodium;5-(4-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid;hydride has a molecular weight of 301.70 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;5-(4-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid;hydride is sourced from PubChem (CID 173392011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).