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

C9H6BrNO2S — CID 139023950

IUPACmethyl 7-bromothieno[3,2-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2cncc(Br)c2s1
InChIInChI=1S/C9H6BrNO2S/c1-13-9(12)7-2-5-3-11-4-6(10)8(5)14-7/h2-4H,1H3
InChIKeyDXBLCEKGOLBYBO-UHFFFAOYSA-N
MW272.12 g/mol
LogP2.85
Rot. Bonds1

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

methyl 7-bromothieno[3,2-c]pyridine-2-carboxylate (PubChem CID 139023950) has the molecular formula C9H6BrNO2S and a molecular weight of 272.12 g/mol. Its IUPAC name is methyl 7-bromothieno[3,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-bromothieno[3,2-c]pyridine-2-carboxylate
PubChem CID139023950
Molecular FormulaC9H6BrNO2S
Molecular Weight272.12 g/mol
Exact Mass270.93
IUPAC Namemethyl 7-bromothieno[3,2-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2cncc(Br)c2s1
InChIInChI=1S/C9H6BrNO2S/c1-13-9(12)7-2-5-3-11-4-6(10)8(5)14-7/h2-4H,1H3
InChIKeyDXBLCEKGOLBYBO-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-c]pyridine-2-carboxylate?
The IUPAC name of methyl 7-bromothieno[3,2-c]pyridine-2-carboxylate (CID 139023950) is methyl 7-bromothieno[3,2-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 7-bromothieno[3,2-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 7-bromothieno[3,2-c]pyridine-2-carboxylate is COC(=O)c1cc2cncc(Br)c2s1.
What is the InChIKey of methyl 7-bromothieno[3,2-c]pyridine-2-carboxylate?
The InChIKey is DXBLCEKGOLBYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO2S/c1-13-9(12)7-2-5-3-11-4-6(10)8(5)14-7/h2-4H,1H3.
What are the key properties of methyl 7-bromothieno[3,2-c]pyridine-2-carboxylate?
methyl 7-bromothieno[3,2-c]pyridine-2-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-c]pyridine-2-carboxylate is sourced from PubChem (CID 139023950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).