barium(2+);2-(5-fluoropyrimidin-4-yl)propanoic acid;hydride

C7H9BaFN2O2 — CID 173067684

IUPACbarium(2+);2-(5-fluoropyrimidin-4-yl)propanoic acid;hydride
SMILESCC(C(=O)O)c1ncncc1F.[Ba+2].[H-].[H-]
InChIInChI=1S/C7H7FN2O2.Ba.2H/c1-4(7(11)12)6-5(8)2-9-3-10-6;;;/h2-4H,1H3,(H,11,12);;;/q;+2;2*-1
InChIKeyRSRIXQJBFYWSJZ-UHFFFAOYSA-N
MW309.49 g/mol
LogP0.65
Rot. Bonds2

About barium(2+);2-(5-fluoropyrimidin-4-yl)propanoic acid;hydride

barium(2+);2-(5-fluoropyrimidin-4-yl)propanoic acid;hydride (PubChem CID 173067684) has the molecular formula C7H9BaFN2O2 and a molecular weight of 309.49 g/mol. Its IUPAC name is barium(2+);2-(5-fluoropyrimidin-4-yl)propanoic acid;hydride.

Molecular Properties

Compound Namebarium(2+);2-(5-fluoropyrimidin-4-yl)propanoic acid;hydride
PubChem CID173067684
Molecular FormulaC7H9BaFN2O2
Molecular Weight309.49 g/mol
Exact Mass309.97
IUPAC Namebarium(2+);2-(5-fluoropyrimidin-4-yl)propanoic acid;hydride
SMILESCC(C(=O)O)c1ncncc1F.[Ba+2].[H-].[H-]
InChIInChI=1S/C7H7FN2O2.Ba.2H/c1-4(7(11)12)6-5(8)2-9-3-10-6;;;/h2-4H,1H3,(H,11,12);;;/q;+2;2*-1
InChIKeyRSRIXQJBFYWSJZ-UHFFFAOYSA-N
XLogP0.65
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze barium(2+);2-(5-fluoropyrimidin-4-yl)propanoic acid;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium 2-(5-fluoropyrimidin-4-yl)propanoate
CID 67382627
4-(1-chloroethyl)-5-fluoropyrimidine
CID 119085863
2-(3-fluoro-2-pyridinyl)propanoic acid
CID 91647505
2-(5-bromopyrimidin-4-yl)-4-methylpentanoic acid
CID 104571680
1-(5-fluoropyrimidin-4-yl)ethanone
CID 67073844
2-(5-iodopyrimidin-4-yl)pentanoic acid
CID 104572036
2-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)propanoic acid
CID 130481774
2-(7-chloroquinazolin-4-yl)propanoic acid
CID 105498337
2-amino-2-(5-bromopyrimidin-4-yl)acetic acid
CID 83895013
2-(3-chloropyrazin-2-yl)propanoic acid
CID 175668378
2-[5-fluoro-6-(hydroxymethyl)-3-pyridinyl]propanoic acid
CID 121364778
(2S)-2-(2,5-difluorophenyl)propanoic acid
CID 93182242

Frequently Asked Questions

What is the IUPAC name of barium(2+);2-(5-fluoropyrimidin-4-yl)propanoic acid;hydride?
The IUPAC name of barium(2+);2-(5-fluoropyrimidin-4-yl)propanoic acid;hydride (CID 173067684) is barium(2+);2-(5-fluoropyrimidin-4-yl)propanoic acid;hydride.
What is the SMILES notation for barium(2+);2-(5-fluoropyrimidin-4-yl)propanoic acid;hydride?
The canonical SMILES for barium(2+);2-(5-fluoropyrimidin-4-yl)propanoic acid;hydride is CC(C(=O)O)c1ncncc1F.[Ba+2].[H-].[H-].
What is the InChIKey of barium(2+);2-(5-fluoropyrimidin-4-yl)propanoic acid;hydride?
The InChIKey is RSRIXQJBFYWSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O2.Ba.2H/c1-4(7(11)12)6-5(8)2-9-3-10-6;;;/h2-4H,1H3,(H,11,12);;;/q;+2;2*-1.
What are the key properties of barium(2+);2-(5-fluoropyrimidin-4-yl)propanoic acid;hydride?
barium(2+);2-(5-fluoropyrimidin-4-yl)propanoic acid;hydride has a molecular weight of 309.49 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);2-(5-fluoropyrimidin-4-yl)propanoic acid;hydride is sourced from PubChem (CID 173067684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).