5-bromothieno[2,3-b]pyridine-2-carboxylic acid

C8H4BrNO2S — CID 71042699

IUPAC5-bromothieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2cc(Br)cnc2s1
InChIInChI=1S/C8H4BrNO2S/c9-5-1-4-2-6(8(11)12)13-7(4)10-3-5/h1-3H,(H,11,12)
InChIKeyPNXKVMHKFZDENP-UHFFFAOYSA-N
MW258.10 g/mol
LogP2.76
Rot. Bonds1

About 5-bromothieno[2,3-b]pyridine-2-carboxylic acid

5-bromothieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 71042699) has the molecular formula C8H4BrNO2S and a molecular weight of 258.10 g/mol. Its IUPAC name is 5-bromothieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-bromothieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID71042699
Molecular FormulaC8H4BrNO2S
Molecular Weight258.10 g/mol
Exact Mass256.91
IUPAC Name5-bromothieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2cc(Br)cnc2s1
InChIInChI=1S/C8H4BrNO2S/c9-5-1-4-2-6(8(11)12)13-7(4)10-3-5/h1-3H,(H,11,12)
InChIKeyPNXKVMHKFZDENP-UHFFFAOYSA-N
XLogP2.76
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Bromothieno(2,3-c)pyridine-2-carboxylic acid
CID 20594208
4-Fluorothieno[2,3-c]pyridine-2-carboxylic acid
CID 66760717
Thieno(2,3-b)pyridine-2-carboxylic acid
CID 7162095
Thieno[3,2-c]pyridine-2-carboxylic acid
CID 13580293
Thieno[2,3-b]pyridine-5-carboxylic acid
CID 14025921
3-Chlorothieno[2,3-b]pyridine-2-carboxylic acid
CID 16640112
Methyl 4-bromothieno(2,3-c)pyridine-2-carboxylate
CID 18516253
Ethyl 3-bromothieno(2,3-b)pyridine-2-carboxylate
CID 23344284
5-Acetyl-3-methylthieno[2,3-b]pyridine-2-carboxylic acid
CID 25312868
Thieno(3,2-c)pyridine-7-carboxylic acid
CID 67100260
4-Chlorothieno[3,2-c]pyridine-2-carboxylic acid
CID 122172563
7-Bromothieno(3,2-c)pyridine-2-carboxylic acid
CID 122582255

Frequently Asked Questions

What is the IUPAC name of 5-bromothieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 5-bromothieno[2,3-b]pyridine-2-carboxylic acid (CID 71042699) is 5-bromothieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-bromothieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 5-bromothieno[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1cc2cc(Br)cnc2s1.
What is the InChIKey of 5-bromothieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is PNXKVMHKFZDENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrNO2S/c9-5-1-4-2-6(8(11)12)13-7(4)10-3-5/h1-3H,(H,11,12).
What are the key properties of 5-bromothieno[2,3-b]pyridine-2-carboxylic acid?
5-bromothieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 258.10 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromothieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 71042699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).