7-bromothieno[2,3-c]pyridine-2-carboxylic acid

C8H4BrNO2S — CID 121231814

IUPAC7-bromothieno[2,3-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2ccnc(Br)c2s1
InChIInChI=1S/C8H4BrNO2S/c9-7-6-4(1-2-10-7)3-5(13-6)8(11)12/h1-3H,(H,11,12)
InChIKeyDTHRRQRNJLZQJK-UHFFFAOYSA-N
MW258.10 g/mol
LogP2.76
Rot. Bonds1

About 7-bromothieno[2,3-c]pyridine-2-carboxylic acid

7-bromothieno[2,3-c]pyridine-2-carboxylic acid (PubChem CID 121231814) has the molecular formula C8H4BrNO2S and a molecular weight of 258.10 g/mol. Its IUPAC name is 7-bromothieno[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-bromothieno[2,3-c]pyridine-2-carboxylic acid
PubChem CID121231814
Molecular FormulaC8H4BrNO2S
Molecular Weight258.10 g/mol
Exact Mass256.91
IUPAC Name7-bromothieno[2,3-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2ccnc(Br)c2s1
InChIInChI=1S/C8H4BrNO2S/c9-7-6-4(1-2-10-7)3-5(13-6)8(11)12/h1-3H,(H,11,12)
InChIKeyDTHRRQRNJLZQJK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromothieno[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 7-bromothieno[2,3-c]pyridine-2-carboxylic acid (CID 121231814) is 7-bromothieno[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-bromothieno[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 7-bromothieno[2,3-c]pyridine-2-carboxylic acid is O=C(O)c1cc2ccnc(Br)c2s1.
What is the InChIKey of 7-bromothieno[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is DTHRRQRNJLZQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrNO2S/c9-7-6-4(1-2-10-7)3-5(13-6)8(11)12/h1-3H,(H,11,12).
What are the key properties of 7-bromothieno[2,3-c]pyridine-2-carboxylic acid?
7-bromothieno[2,3-c]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 7-bromothieno[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 121231814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).