CID 175320854

C2BIO4 — CID 175320854

IUPAC—
SMILES[B]OC(=O)C(=O)OI
InChIInChI=1S/C2BIO4/c3-7-1(5)2(6)8-4
InChIKeyFTGXLHYUOHPULY-UHFFFAOYSA-N
MW225.73 g/mol
LogP-0.49
Rot. Bonds

About CID 175320854

CID 175320854 (PubChem CID 175320854) has the molecular formula C2BIO4 and a molecular weight of 225.73 g/mol.

Molecular Properties

Compound NameCID 175320854
PubChem CID175320854
Molecular FormulaC2BIO4
Molecular Weight225.73 g/mol
Exact Mass225.89
IUPAC Name—
SMILES[B]OC(=O)C(=O)OI
InChIInChI=1S/C2BIO4/c3-7-1(5)2(6)8-4
InChIKeyFTGXLHYUOHPULY-UHFFFAOYSA-N
XLogP-0.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.73
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-iodooxy-2-oxoacetic acid
CID 90996944
iodo 2-fluoroprop-2-enoate
CID 166890088
diiodo 2,3-dibromobutanedioate
CID 57093775
CID 174824016
CID 174824016
iodo acetate;hydrochloride
CID 22153279
sodium iodo carbonate
CID 174948580
diiodo (Z)-but-2-enedioate
CID 159859279
CID 58373917
CID 58373917
iodo 2-amino-3-methylbutanoate
CID 76549706
iodo 2,2,2-triiodoacetate
CID 54138619
sodium;hydride;iodo acetate;trihydrate
CID 174829921
CID 57023561
CID 57023561

Frequently Asked Questions

What is the IUPAC name of CID 175320854?
The IUPAC name of CID 175320854 (CID 175320854) is not available.
What is the SMILES notation for CID 175320854?
The canonical SMILES for CID 175320854 is [B]OC(=O)C(=O)OI.
What is the InChIKey of CID 175320854?
The InChIKey is FTGXLHYUOHPULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2BIO4/c3-7-1(5)2(6)8-4.
What are the key properties of CID 175320854?
CID 175320854 has a molecular weight of 225.73 g/mol, XLogP of -0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175320854 is sourced from PubChem (CID 175320854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).