4-(4-bromoanilino)thieno[2,3-b]pyridine-5-carboxylic acid

C14H9BrN2O2S — CID 44561889

IUPAC4-(4-bromoanilino)thieno[2,3-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2sccc2c1Nc1ccc(Br)cc1
InChIInChI=1S/C14H9BrN2O2S/c15-8-1-3-9(4-2-8)17-12-10-5-6-20-13(10)16-7-11(12)14(18)19/h1-7H,(H,16,17)(H,18,19)
InChIKeyDLOHPEWEDDJUTB-UHFFFAOYSA-N
MW349.21 g/mol
LogP4.50
Rot. Bonds3

About 4-(4-bromoanilino)thieno[2,3-b]pyridine-5-carboxylic acid

4-(4-bromoanilino)thieno[2,3-b]pyridine-5-carboxylic acid (PubChem CID 44561889) has the molecular formula C14H9BrN2O2S and a molecular weight of 349.21 g/mol. Its IUPAC name is 4-(4-bromoanilino)thieno[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-bromoanilino)thieno[2,3-b]pyridine-5-carboxylic acid
PubChem CID44561889
Molecular FormulaC14H9BrN2O2S
Molecular Weight349.21 g/mol
Exact Mass347.96
IUPAC Name4-(4-bromoanilino)thieno[2,3-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2sccc2c1Nc1ccc(Br)cc1
InChIInChI=1S/C14H9BrN2O2S/c15-8-1-3-9(4-2-8)17-12-10-5-6-20-13(10)16-7-11(12)14(18)19/h1-7H,(H,16,17)(H,18,19)
InChIKeyDLOHPEWEDDJUTB-UHFFFAOYSA-N
XLogP4.50
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromoanilino)thieno[2,3-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-(4-bromoanilino)thieno[2,3-b]pyridine-5-carboxylic acid (CID 44561889) is 4-(4-bromoanilino)thieno[2,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-(4-bromoanilino)thieno[2,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-(4-bromoanilino)thieno[2,3-b]pyridine-5-carboxylic acid is O=C(O)c1cnc2sccc2c1Nc1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromoanilino)thieno[2,3-b]pyridine-5-carboxylic acid?
The InChIKey is DLOHPEWEDDJUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O2S/c15-8-1-3-9(4-2-8)17-12-10-5-6-20-13(10)16-7-11(12)14(18)19/h1-7H,(H,16,17)(H,18,19).
What are the key properties of 4-(4-bromoanilino)thieno[2,3-b]pyridine-5-carboxylic acid?
4-(4-bromoanilino)thieno[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 349.21 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromoanilino)thieno[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 44561889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).