methyl 7-bromo-2-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate

C10H5BrF3NO2S — CID 155463615

IUPACmethyl 7-bromo-2-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate
SMILESCOC(=O)c1c(C(F)(F)F)sc2c(Br)ccnc12
InChIInChI=1S/C10H5BrF3NO2S/c1-17-9(16)5-6-7(4(11)2-3-15-6)18-8(5)10(12,13)14/h2-3H,1H3
InChIKeyQZBCJWRHCPGENW-UHFFFAOYSA-N
MW340.12 g/mol
LogP3.86
Rot. Bonds1

About methyl 7-bromo-2-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate

methyl 7-bromo-2-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate (PubChem CID 155463615) has the molecular formula C10H5BrF3NO2S and a molecular weight of 340.12 g/mol. Its IUPAC name is methyl 7-bromo-2-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-bromo-2-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate
PubChem CID155463615
Molecular FormulaC10H5BrF3NO2S
Molecular Weight340.12 g/mol
Exact Mass338.92
IUPAC Namemethyl 7-bromo-2-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate
SMILESCOC(=O)c1c(C(F)(F)F)sc2c(Br)ccnc12
InChIInChI=1S/C10H5BrF3NO2S/c1-17-9(16)5-6-7(4(11)2-3-15-6)18-8(5)10(12,13)14/h2-3H,1H3
InChIKeyQZBCJWRHCPGENW-UHFFFAOYSA-N
XLogP3.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.12
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 7-bromo-2-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate?
The IUPAC name of methyl 7-bromo-2-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate (CID 155463615) is methyl 7-bromo-2-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 7-bromo-2-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 7-bromo-2-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate is COC(=O)c1c(C(F)(F)F)sc2c(Br)ccnc12.
What is the InChIKey of methyl 7-bromo-2-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate?
The InChIKey is QZBCJWRHCPGENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF3NO2S/c1-17-9(16)5-6-7(4(11)2-3-15-6)18-8(5)10(12,13)14/h2-3H,1H3.
What are the key properties of methyl 7-bromo-2-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate?
methyl 7-bromo-2-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate has a molecular weight of 340.12 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-bromo-2-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate is sourced from PubChem (CID 155463615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).