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

C14H9BrN2O2S — CID 10132518

IUPAC4-(3-bromophenoxy)thieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(Oc3cccc(Br)c3)cncc2s1
InChIInChI=1S/C14H9BrN2O2S/c15-8-2-1-3-9(4-8)19-11-6-17-7-13-10(11)5-12(20-13)14(16)18/h1-7H,(H2,16,18)
InChIKeyBFLOGMOHHSGWRO-UHFFFAOYSA-N
MW349.21 g/mol
LogP3.95
Rot. Bonds3

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

4-(3-bromophenoxy)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 10132518) has the molecular formula C14H9BrN2O2S and a molecular weight of 349.21 g/mol. Its IUPAC name is 4-(3-bromophenoxy)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-bromophenoxy)thieno[2,3-c]pyridine-2-carboxamide
PubChem CID10132518
Molecular FormulaC14H9BrN2O2S
Molecular Weight349.21 g/mol
Exact Mass347.96
IUPAC Name4-(3-bromophenoxy)thieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(Oc3cccc(Br)c3)cncc2s1
InChIInChI=1S/C14H9BrN2O2S/c15-8-2-1-3-9(4-8)19-11-6-17-7-13-10(11)5-12(20-13)14(16)18/h1-7H,(H2,16,18)
InChIKeyBFLOGMOHHSGWRO-UHFFFAOYSA-N
XLogP3.95
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-(3-bromophenoxy)thieno[2,3-c]pyridine-2-carboxamide (CID 10132518) is 4-(3-bromophenoxy)thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-bromophenoxy)thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-(3-bromophenoxy)thieno[2,3-c]pyridine-2-carboxamide is NC(=O)c1cc2c(Oc3cccc(Br)c3)cncc2s1.
What is the InChIKey of 4-(3-bromophenoxy)thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is BFLOGMOHHSGWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O2S/c15-8-2-1-3-9(4-8)19-11-6-17-7-13-10(11)5-12(20-13)14(16)18/h1-7H,(H2,16,18).
What are the key properties of 4-(3-bromophenoxy)thieno[2,3-c]pyridine-2-carboxamide?
4-(3-bromophenoxy)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 349.21 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 10132518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).