sodium pyrimidine-2-carboxylate

C5H3N2NaO2 — CID 23677639

IUPACsodium pyrimidine-2-carboxylate
SMILESO=C([O-])c1ncccn1.[Na+]
InChIInChI=1S/C5H4N2O2.Na/c8-5(9)4-6-2-1-3-7-4;/h1-3H,(H,8,9);/q;+1/p-1
InChIKeyJAYHOLAWADPIFN-UHFFFAOYSA-M
MW146.08 g/mol
LogP-4.16
Rot. Bonds1

About sodium pyrimidine-2-carboxylate

sodium pyrimidine-2-carboxylate (PubChem CID 23677639) has the molecular formula C5H3N2NaO2 and a molecular weight of 146.08 g/mol. Its IUPAC name is sodium pyrimidine-2-carboxylate.

Molecular Properties

Compound Namesodium pyrimidine-2-carboxylate
PubChem CID23677639
Molecular FormulaC5H3N2NaO2
Molecular Weight146.08 g/mol
Exact Mass146.01
IUPAC Namesodium pyrimidine-2-carboxylate
SMILESO=C([O-])c1ncccn1.[Na+]
InChIInChI=1S/C5H4N2O2.Na/c8-5(9)4-6-2-1-3-7-4;/h1-3H,(H,8,9);/q;+1/p-1
InChIKeyJAYHOLAWADPIFN-UHFFFAOYSA-M
XLogP-4.16
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.08
LogP ≤ 5-4.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine-2-carboxylic acid
CID 12626245
2-Pyrimidinecarboxylic acid, methyl ester
CID 3613871
5-chloropyrimidine-2-carboxylic Acid
CID 7140348
1-(Pyrimidin-2-yl)ethan-1-one
CID 11607909
2-Pyrimidineacetic Acid
CID 12367098
Pyrimidine-2-carbaldehyde
CID 13751953
5-Methylpyrimidine-2-carboxylic acid
CID 15160170
2-((Pyrimidin-2-yl)amino)acetic acid
CID 16228214
4-Aminopyrimidine-2-carboxylic acid
CID 22172594
4-Chloropyrimidine-2-carboxylic acid
CID 46911845
Methyl 4-chloropyrimidine-2-carboxylate
CID 64989066
2-Pyrimidinecarboxylic acid, ethyl ester
CID 13360715

Frequently Asked Questions

What is the IUPAC name of sodium pyrimidine-2-carboxylate?
The IUPAC name of sodium pyrimidine-2-carboxylate (CID 23677639) is sodium pyrimidine-2-carboxylate.
What is the SMILES notation for sodium pyrimidine-2-carboxylate?
The canonical SMILES for sodium pyrimidine-2-carboxylate is O=C([O-])c1ncccn1.[Na+].
What is the InChIKey of sodium pyrimidine-2-carboxylate?
The InChIKey is JAYHOLAWADPIFN-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4N2O2.Na/c8-5(9)4-6-2-1-3-7-4;/h1-3H,(H,8,9);/q;+1/p-1.
What are the key properties of sodium pyrimidine-2-carboxylate?
sodium pyrimidine-2-carboxylate has a molecular weight of 146.08 g/mol, XLogP of -4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium pyrimidine-2-carboxylate is sourced from PubChem (CID 23677639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).