methyl 7-bromothieno[3,2-b]pyridine-3-carboxylate

C9H6BrNO2S — CID 155463614

IUPACmethyl 7-bromothieno[3,2-b]pyridine-3-carboxylate
SMILESCOC(=O)c1csc2c(Br)ccnc12
InChIInChI=1S/C9H6BrNO2S/c1-13-9(12)5-4-14-8-6(10)2-3-11-7(5)8/h2-4H,1H3
InChIKeyHVYNNNDYCQPGOT-UHFFFAOYSA-N
MW272.12 g/mol
LogP2.85
Rot. Bonds1

About methyl 7-bromothieno[3,2-b]pyridine-3-carboxylate

methyl 7-bromothieno[3,2-b]pyridine-3-carboxylate (PubChem CID 155463614) has the molecular formula C9H6BrNO2S and a molecular weight of 272.12 g/mol. Its IUPAC name is methyl 7-bromothieno[3,2-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-bromothieno[3,2-b]pyridine-3-carboxylate
PubChem CID155463614
Molecular FormulaC9H6BrNO2S
Molecular Weight272.12 g/mol
Exact Mass270.93
IUPAC Namemethyl 7-bromothieno[3,2-b]pyridine-3-carboxylate
SMILESCOC(=O)c1csc2c(Br)ccnc12
InChIInChI=1S/C9H6BrNO2S/c1-13-9(12)5-4-14-8-6(10)2-3-11-7(5)8/h2-4H,1H3
InChIKeyHVYNNNDYCQPGOT-UHFFFAOYSA-N
XLogP2.85
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 7-bromothieno[3,2-b]pyridine-3-carboxylate?
The IUPAC name of methyl 7-bromothieno[3,2-b]pyridine-3-carboxylate (CID 155463614) is methyl 7-bromothieno[3,2-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 7-bromothieno[3,2-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 7-bromothieno[3,2-b]pyridine-3-carboxylate is COC(=O)c1csc2c(Br)ccnc12.
What is the InChIKey of methyl 7-bromothieno[3,2-b]pyridine-3-carboxylate?
The InChIKey is HVYNNNDYCQPGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO2S/c1-13-9(12)5-4-14-8-6(10)2-3-11-7(5)8/h2-4H,1H3.
What are the key properties of methyl 7-bromothieno[3,2-b]pyridine-3-carboxylate?
methyl 7-bromothieno[3,2-b]pyridine-3-carboxylate has a molecular weight of 272.12 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-bromothieno[3,2-b]pyridine-3-carboxylate is sourced from PubChem (CID 155463614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).