2-(2-alumanyl-5-iodo-6-oxopyrimidin-1-yl)acetic acid

C6H6AlIN2O3 — CID 147885778

IUPAC2-(2-alumanyl-5-iodo-6-oxopyrimidin-1-yl)acetic acid
SMILESO=C(O)Cn1c([AlH2])ncc(I)c1=O
InChIInChI=1S/C6H4IN2O3.Al.2H/c7-4-1-8-3-9(6(4)12)2-5(10)11;;;/h1H,2H2,(H,10,11);;;
InChIKeyIBHPWAZLVMZUIF-UHFFFAOYSA-N
MW308.01 g/mol
LogP-1.81
Rot. Bonds2

About 2-(2-alumanyl-5-iodo-6-oxopyrimidin-1-yl)acetic acid

2-(2-alumanyl-5-iodo-6-oxopyrimidin-1-yl)acetic acid (PubChem CID 147885778) has the molecular formula C6H6AlIN2O3 and a molecular weight of 308.01 g/mol. Its IUPAC name is 2-(2-alumanyl-5-iodo-6-oxopyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-alumanyl-5-iodo-6-oxopyrimidin-1-yl)acetic acid
PubChem CID147885778
Molecular FormulaC6H6AlIN2O3
Molecular Weight308.01 g/mol
Exact Mass307.92
IUPAC Name2-(2-alumanyl-5-iodo-6-oxopyrimidin-1-yl)acetic acid
SMILESO=C(O)Cn1c([AlH2])ncc(I)c1=O
InChIInChI=1S/C6H4IN2O3.Al.2H/c7-4-1-8-3-9(6(4)12)2-5(10)11;;;/h1H,2H2,(H,10,11);;;
InChIKeyIBHPWAZLVMZUIF-UHFFFAOYSA-N
XLogP-1.81
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.01
LogP ≤ 5-1.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-alumanyl-5-iodo-6-oxopyrimidin-1-yl)acetic acid?
The IUPAC name of 2-(2-alumanyl-5-iodo-6-oxopyrimidin-1-yl)acetic acid (CID 147885778) is 2-(2-alumanyl-5-iodo-6-oxopyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-(2-alumanyl-5-iodo-6-oxopyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-(2-alumanyl-5-iodo-6-oxopyrimidin-1-yl)acetic acid is O=C(O)Cn1c([AlH2])ncc(I)c1=O.
What is the InChIKey of 2-(2-alumanyl-5-iodo-6-oxopyrimidin-1-yl)acetic acid?
The InChIKey is IBHPWAZLVMZUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4IN2O3.Al.2H/c7-4-1-8-3-9(6(4)12)2-5(10)11;;;/h1H,2H2,(H,10,11);;;.
What are the key properties of 2-(2-alumanyl-5-iodo-6-oxopyrimidin-1-yl)acetic acid?
2-(2-alumanyl-5-iodo-6-oxopyrimidin-1-yl)acetic acid has a molecular weight of 308.01 g/mol, XLogP of -1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-alumanyl-5-iodo-6-oxopyrimidin-1-yl)acetic acid is sourced from PubChem (CID 147885778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).