ethyl 2-(2-iodo-1,3-thiazol-4-yl)pyridine-3-carboxylate

C11H9IN2O2S — CID 146331532

IUPACethyl 2-(2-iodo-1,3-thiazol-4-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1-c1csc(I)n1
InChIInChI=1S/C11H9IN2O2S/c1-2-16-10(15)7-4-3-5-13-9(7)8-6-17-11(12)14-8/h3-6H,2H2,1H3
InChIKeyYOHQRPILYSWQGU-UHFFFAOYSA-N
MW360.18 g/mol
LogP2.99
Rot. Bonds3

About ethyl 2-(2-iodo-1,3-thiazol-4-yl)pyridine-3-carboxylate

ethyl 2-(2-iodo-1,3-thiazol-4-yl)pyridine-3-carboxylate (PubChem CID 146331532) has the molecular formula C11H9IN2O2S and a molecular weight of 360.18 g/mol. Its IUPAC name is ethyl 2-(2-iodo-1,3-thiazol-4-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-iodo-1,3-thiazol-4-yl)pyridine-3-carboxylate
PubChem CID146331532
Molecular FormulaC11H9IN2O2S
Molecular Weight360.18 g/mol
Exact Mass359.94
IUPAC Nameethyl 2-(2-iodo-1,3-thiazol-4-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1-c1csc(I)n1
InChIInChI=1S/C11H9IN2O2S/c1-2-16-10(15)7-4-3-5-13-9(7)8-6-17-11(12)14-8/h3-6H,2H2,1H3
InChIKeyYOHQRPILYSWQGU-UHFFFAOYSA-N
XLogP2.99
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.18
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-iodo-1,3-thiazol-4-yl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(2-iodo-1,3-thiazol-4-yl)pyridine-3-carboxylate (CID 146331532) is ethyl 2-(2-iodo-1,3-thiazol-4-yl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(2-iodo-1,3-thiazol-4-yl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(2-iodo-1,3-thiazol-4-yl)pyridine-3-carboxylate is CCOC(=O)c1cccnc1-c1csc(I)n1.
What is the InChIKey of ethyl 2-(2-iodo-1,3-thiazol-4-yl)pyridine-3-carboxylate?
The InChIKey is YOHQRPILYSWQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2O2S/c1-2-16-10(15)7-4-3-5-13-9(7)8-6-17-11(12)14-8/h3-6H,2H2,1H3.
What are the key properties of ethyl 2-(2-iodo-1,3-thiazol-4-yl)pyridine-3-carboxylate?
ethyl 2-(2-iodo-1,3-thiazol-4-yl)pyridine-3-carboxylate has a molecular weight of 360.18 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-iodo-1,3-thiazol-4-yl)pyridine-3-carboxylate is sourced from PubChem (CID 146331532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).