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

Name: 4,6-Dichloropyrimidine-5-carboxylic acid, sodium salt — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₅H₄Cl₂N₂NaO₂ — CID 171921195

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	4,6-Dichloropyrimidine-5-carboxylic acid, sodium salt
PubChem CID	171921195
Molecular Formula	C₅H₄Cl₂N₂NaO₂
Molecular Weight	218.00 g/mol
Exact Mass	216.95
IUPAC Name	—
SMILES	O=C(O)c1c(Cl)ncnc1Cl.[H][H].[Na]
InChI	InChI=1S/C5H2Cl2N2O2.Na.H2/c6-3-2(5(10)11)4(7)9-1-8-3;;/h1H,(H,10,11);;1H
InChIKey	KFZIQOMAUKJXPH-UHFFFAOYSA-N
XLogP	1.35
TPSA	63.08 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	1
Heavy Atoms	12
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	218.00
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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).

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Sources

PubChem CID 171921195 — identifiers, structure, computed properties (public domain)

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