ethyl 5-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate

C14H15BrN2O3S — CID 169093505

IUPACethyl 5-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1c(Br)nc2ccsc2c1N1CCOCC1
InChIInChI=1S/C14H15BrN2O3S/c1-2-20-14(18)10-11(17-4-6-19-7-5-17)12-9(3-8-21-12)16-13(10)15/h3,8H,2,4-7H2,1H3
InChIKeyMEBLYUCSAFZPIV-UHFFFAOYSA-N
MW371.26 g/mol
LogP3.07
Rot. Bonds3

About ethyl 5-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate

ethyl 5-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate (PubChem CID 169093505) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is ethyl 5-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate
PubChem CID169093505
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Nameethyl 5-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1c(Br)nc2ccsc2c1N1CCOCC1
InChIInChI=1S/C14H15BrN2O3S/c1-2-20-14(18)10-11(17-4-6-19-7-5-17)12-9(3-8-21-12)16-13(10)15/h3,8H,2,4-7H2,1H3
InChIKeyMEBLYUCSAFZPIV-UHFFFAOYSA-N
XLogP3.07
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 5-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate (CID 169093505) is ethyl 5-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 5-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 5-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate is CCOC(=O)c1c(Br)nc2ccsc2c1N1CCOCC1.
What is the InChIKey of ethyl 5-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate?
The InChIKey is MEBLYUCSAFZPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-2-20-14(18)10-11(17-4-6-19-7-5-17)12-9(3-8-21-12)16-13(10)15/h3,8H,2,4-7H2,1H3.
What are the key properties of ethyl 5-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate?
ethyl 5-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate has a molecular weight of 371.26 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate is sourced from PubChem (CID 169093505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).