2-methoxy-4H-pyrrolo[2,3-d][1,3]selenazole-5-carboxylic acid

C7H6N2O3Se — CID 44543982

IUPAC2-methoxy-4H-pyrrolo[2,3-d][1,3]selenazole-5-carboxylic acid
SMILESCOc1nc2[nH]c(C(=O)O)cc2[se]1
InChIInChI=1S/C7H6N2O3Se/c1-12-7-9-5-4(13-7)2-3(8-5)6(10)11/h2,8H,1H3,(H,10,11)
InChIKeyWHOOCLOIDKGZGZ-UHFFFAOYSA-N
MW245.10 g/mol
LogP0.33
Rot. Bonds2

About 2-methoxy-4H-pyrrolo[2,3-d][1,3]selenazole-5-carboxylic acid

2-methoxy-4H-pyrrolo[2,3-d][1,3]selenazole-5-carboxylic acid (PubChem CID 44543982) has the molecular formula C7H6N2O3Se and a molecular weight of 245.10 g/mol. Its IUPAC name is 2-methoxy-4H-pyrrolo[2,3-d][1,3]selenazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-4H-pyrrolo[2,3-d][1,3]selenazole-5-carboxylic acid
PubChem CID44543982
Molecular FormulaC7H6N2O3Se
Molecular Weight245.10 g/mol
Exact Mass245.95
IUPAC Name2-methoxy-4H-pyrrolo[2,3-d][1,3]selenazole-5-carboxylic acid
SMILESCOc1nc2[nH]c(C(=O)O)cc2[se]1
InChIInChI=1S/C7H6N2O3Se/c1-12-7-9-5-4(13-7)2-3(8-5)6(10)11/h2,8H,1H3,(H,10,11)
InChIKeyWHOOCLOIDKGZGZ-UHFFFAOYSA-N
XLogP0.33
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.10
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4H-pyrrolo[2,3-d][1,3]selenazole-5-carboxylic acid?
The IUPAC name of 2-methoxy-4H-pyrrolo[2,3-d][1,3]selenazole-5-carboxylic acid (CID 44543982) is 2-methoxy-4H-pyrrolo[2,3-d][1,3]selenazole-5-carboxylic acid.
What is the SMILES notation for 2-methoxy-4H-pyrrolo[2,3-d][1,3]selenazole-5-carboxylic acid?
The canonical SMILES for 2-methoxy-4H-pyrrolo[2,3-d][1,3]selenazole-5-carboxylic acid is COc1nc2[nH]c(C(=O)O)cc2[se]1.
What is the InChIKey of 2-methoxy-4H-pyrrolo[2,3-d][1,3]selenazole-5-carboxylic acid?
The InChIKey is WHOOCLOIDKGZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O3Se/c1-12-7-9-5-4(13-7)2-3(8-5)6(10)11/h2,8H,1H3,(H,10,11).
What are the key properties of 2-methoxy-4H-pyrrolo[2,3-d][1,3]selenazole-5-carboxylic acid?
2-methoxy-4H-pyrrolo[2,3-d][1,3]selenazole-5-carboxylic acid has a molecular weight of 245.10 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4H-pyrrolo[2,3-d][1,3]selenazole-5-carboxylic acid is sourced from PubChem (CID 44543982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).