sodium 2-(5-fluoropyrimidin-4-yl)propanoate

C7H6FN2NaO2 — CID 67382627

IUPACsodium 2-(5-fluoropyrimidin-4-yl)propanoate
SMILESCC(C(=O)[O-])c1ncncc1F.[Na+]
InChIInChI=1S/C7H7FN2O2.Na/c1-4(7(11)12)6-5(8)2-9-3-10-6;/h2-4H,1H3,(H,11,12);/q;+1/p-1
InChIKeyMCYDPMZMNRWMCP-UHFFFAOYSA-M
MW192.12 g/mol
LogP-3.53
Rot. Bonds2

About sodium 2-(5-fluoropyrimidin-4-yl)propanoate

sodium 2-(5-fluoropyrimidin-4-yl)propanoate (PubChem CID 67382627) has the molecular formula C7H6FN2NaO2 and a molecular weight of 192.12 g/mol. Its IUPAC name is sodium 2-(5-fluoropyrimidin-4-yl)propanoate.

Molecular Properties

Compound Namesodium 2-(5-fluoropyrimidin-4-yl)propanoate
PubChem CID67382627
Molecular FormulaC7H6FN2NaO2
Molecular Weight192.12 g/mol
Exact Mass192.03
IUPAC Namesodium 2-(5-fluoropyrimidin-4-yl)propanoate
SMILESCC(C(=O)[O-])c1ncncc1F.[Na+]
InChIInChI=1S/C7H7FN2O2.Na/c1-4(7(11)12)6-5(8)2-9-3-10-6;/h2-4H,1H3,(H,11,12);/q;+1/p-1
InChIKeyMCYDPMZMNRWMCP-UHFFFAOYSA-M
XLogP-3.53
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.12
LogP ≤ 5-3.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 2-(5-fluoropyrimidin-4-yl)propanoate?
The IUPAC name of sodium 2-(5-fluoropyrimidin-4-yl)propanoate (CID 67382627) is sodium 2-(5-fluoropyrimidin-4-yl)propanoate.
What is the SMILES notation for sodium 2-(5-fluoropyrimidin-4-yl)propanoate?
The canonical SMILES for sodium 2-(5-fluoropyrimidin-4-yl)propanoate is CC(C(=O)[O-])c1ncncc1F.[Na+].
What is the InChIKey of sodium 2-(5-fluoropyrimidin-4-yl)propanoate?
The InChIKey is MCYDPMZMNRWMCP-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7FN2O2.Na/c1-4(7(11)12)6-5(8)2-9-3-10-6;/h2-4H,1H3,(H,11,12);/q;+1/p-1.
What are the key properties of sodium 2-(5-fluoropyrimidin-4-yl)propanoate?
sodium 2-(5-fluoropyrimidin-4-yl)propanoate has a molecular weight of 192.12 g/mol, XLogP of -3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(5-fluoropyrimidin-4-yl)propanoate is sourced from PubChem (CID 67382627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).