ethyl 3-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylate

C10H7BrClNO2S — CID 163397206

IUPACethyl 3-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(Br)csc2c1Cl
InChIInChI=1S/C10H7BrClNO2S/c1-2-15-10(14)5-3-13-8-6(11)4-16-9(8)7(5)12/h3-4H,2H2,1H3
InChIKeyPOWBOSPCJHMTSM-UHFFFAOYSA-N
MW320.60 g/mol
LogP3.89
Rot. Bonds2

About ethyl 3-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylate

ethyl 3-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylate (PubChem CID 163397206) has the molecular formula C10H7BrClNO2S and a molecular weight of 320.60 g/mol. Its IUPAC name is ethyl 3-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylate
PubChem CID163397206
Molecular FormulaC10H7BrClNO2S
Molecular Weight320.60 g/mol
Exact Mass318.91
IUPAC Nameethyl 3-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(Br)csc2c1Cl
InChIInChI=1S/C10H7BrClNO2S/c1-2-15-10(14)5-3-13-8-6(11)4-16-9(8)7(5)12/h3-4H,2H2,1H3
InChIKeyPOWBOSPCJHMTSM-UHFFFAOYSA-N
XLogP3.89
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.60
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 3-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylate (CID 163397206) is ethyl 3-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 3-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 3-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylate is CCOC(=O)c1cnc2c(Br)csc2c1Cl.
What is the InChIKey of ethyl 3-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylate?
The InChIKey is POWBOSPCJHMTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNO2S/c1-2-15-10(14)5-3-13-8-6(11)4-16-9(8)7(5)12/h3-4H,2H2,1H3.
What are the key properties of ethyl 3-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylate?
ethyl 3-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylate has a molecular weight of 320.60 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylate is sourced from PubChem (CID 163397206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).