4,6-Dichloropyrimidine-5-carboxylic acid, sodium salt

C5H4Cl2N2NaO2 — CID 171921195

IUPAC—
SMILESO=C(O)c1c(Cl)ncnc1Cl.[H][H].[Na]
InChIInChI=1S/C5H2Cl2N2O2.Na.H2/c6-3-2(5(10)11)4(7)9-1-8-3;;/h1H,(H,10,11);;1H
InChIKeyKFZIQOMAUKJXPH-UHFFFAOYSA-N
MW218.00 g/mol
LogP1.35
Rot. Bonds1

About 4,6-Dichloropyrimidine-5-carboxylic acid, sodium salt

4,6-Dichloropyrimidine-5-carboxylic acid, sodium salt (PubChem CID 171921195) has the molecular formula C5H4Cl2N2NaO2 and a molecular weight of 218.00 g/mol.

Molecular Properties

Compound Name4,6-Dichloropyrimidine-5-carboxylic acid, sodium salt
PubChem CID171921195
Molecular FormulaC5H4Cl2N2NaO2
Molecular Weight218.00 g/mol
Exact Mass216.95
IUPAC Name—
SMILESO=C(O)c1c(Cl)ncnc1Cl.[H][H].[Na]
InChIInChI=1S/C5H2Cl2N2O2.Na.H2/c6-3-2(5(10)11)4(7)9-1-8-3;;/h1H,(H,10,11);;1H
InChIKeyKFZIQOMAUKJXPH-UHFFFAOYSA-N
XLogP1.35
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.00
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-Dichloropyrimidine-5-carboxylic acid, sodium salt?
The IUPAC name of 4,6-Dichloropyrimidine-5-carboxylic acid, sodium salt (CID 171921195) is not available.
What is the SMILES notation for 4,6-Dichloropyrimidine-5-carboxylic acid, sodium salt?
The canonical SMILES for 4,6-Dichloropyrimidine-5-carboxylic acid, sodium salt is O=C(O)c1c(Cl)ncnc1Cl.[H][H].[Na].
What is the InChIKey of 4,6-Dichloropyrimidine-5-carboxylic acid, sodium salt?
The InChIKey is KFZIQOMAUKJXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2N2O2.Na.H2/c6-3-2(5(10)11)4(7)9-1-8-3;;/h1H,(H,10,11);;1H.
What are the key properties of 4,6-Dichloropyrimidine-5-carboxylic acid, sodium salt?
4,6-Dichloropyrimidine-5-carboxylic acid, sodium salt has a molecular weight of 218.00 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-Dichloropyrimidine-5-carboxylic acid, sodium salt is sourced from PubChem (CID 171921195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).