methyl 4-(4-bromophenoxy)thieno[2,3-c]pyridine-2-carboxylate

C15H10BrNO3S — CID 10915466

IUPACmethyl 4-(4-bromophenoxy)thieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1
InChIInChI=1S/C15H10BrNO3S/c1-19-15(18)13-6-11-12(7-17-8-14(11)21-13)20-10-4-2-9(16)3-5-10/h2-8H,1H3
InChIKeyXCJLEDKGTOESNN-UHFFFAOYSA-N
MW364.22 g/mol
LogP4.64
Rot. Bonds3

About methyl 4-(4-bromophenoxy)thieno[2,3-c]pyridine-2-carboxylate

methyl 4-(4-bromophenoxy)thieno[2,3-c]pyridine-2-carboxylate (PubChem CID 10915466) has the molecular formula C15H10BrNO3S and a molecular weight of 364.22 g/mol. Its IUPAC name is methyl 4-(4-bromophenoxy)thieno[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-bromophenoxy)thieno[2,3-c]pyridine-2-carboxylate
PubChem CID10915466
Molecular FormulaC15H10BrNO3S
Molecular Weight364.22 g/mol
Exact Mass362.96
IUPAC Namemethyl 4-(4-bromophenoxy)thieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1
InChIInChI=1S/C15H10BrNO3S/c1-19-15(18)13-6-11-12(7-17-8-14(11)21-13)20-10-4-2-9(16)3-5-10/h2-8H,1H3
InChIKeyXCJLEDKGTOESNN-UHFFFAOYSA-N
XLogP4.64
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-bromophenoxy)thieno[2,3-c]pyridine-2-carboxylate?
The IUPAC name of methyl 4-(4-bromophenoxy)thieno[2,3-c]pyridine-2-carboxylate (CID 10915466) is methyl 4-(4-bromophenoxy)thieno[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(4-bromophenoxy)thieno[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(4-bromophenoxy)thieno[2,3-c]pyridine-2-carboxylate is COC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1.
What is the InChIKey of methyl 4-(4-bromophenoxy)thieno[2,3-c]pyridine-2-carboxylate?
The InChIKey is XCJLEDKGTOESNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO3S/c1-19-15(18)13-6-11-12(7-17-8-14(11)21-13)20-10-4-2-9(16)3-5-10/h2-8H,1H3.
What are the key properties of methyl 4-(4-bromophenoxy)thieno[2,3-c]pyridine-2-carboxylate?
methyl 4-(4-bromophenoxy)thieno[2,3-c]pyridine-2-carboxylate has a molecular weight of 364.22 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-bromophenoxy)thieno[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 10915466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).