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

C8H4BrNO2S — CID 82665417

IUPAC2-bromothieno[2,3-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2sc(Br)cc2c1
InChIInChI=1S/C8H4BrNO2S/c9-6-2-4-1-5(8(11)12)3-10-7(4)13-6/h1-3H,(H,11,12)
InChIKeySEJJNHCYZBRFHQ-UHFFFAOYSA-N
MW258.10 g/mol
LogP2.76
Rot. Bonds1

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

2-bromothieno[2,3-b]pyridine-5-carboxylic acid (PubChem CID 82665417) has the molecular formula C8H4BrNO2S and a molecular weight of 258.10 g/mol. Its IUPAC name is 2-bromothieno[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-bromothieno[2,3-b]pyridine-5-carboxylic acid
PubChem CID82665417
Molecular FormulaC8H4BrNO2S
Molecular Weight258.10 g/mol
Exact Mass256.91
IUPAC Name2-bromothieno[2,3-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2sc(Br)cc2c1
InChIInChI=1S/C8H4BrNO2S/c9-6-2-4-1-5(8(11)12)3-10-7(4)13-6/h1-3H,(H,11,12)
InChIKeySEJJNHCYZBRFHQ-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

2-bromo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid
CID 84709626
2-(difluoromethyl)thieno[2,3-b]pyridine-5-carboxylic acid
CID 84692457
2-bromo-7-fluoro-1-benzothiophene-5-carboxylic acid
CID 130883187
2-bromo-7-iodo-1-benzothiophene-5-carboxylic acid
CID 130792421
8-bromoquinoline-3-carboxylic acid;hydrate
CID 71710960
6,7-dihydroxyquinoline-3-carboxylic acid
CID 135795174
5-bromo-6-chloropyridine-3-carboxylic acid;hydrazine
CID 174723335
7-amino-6-methylquinoline-3-carboxylic acid
CID 129276404
[1,2]oxazolo[3,4-b]pyridine-5-carboxylic acid
CID 84651760
6,8-difluoroquinoline-3-carboxylic acid
CID 22452302
6-chloroquinoline-3-carboxylic acid
CID 14241492
6-hydroxyquinoline-3-carboxylic acid
CID 58902455

Frequently Asked Questions

What is the IUPAC name of 2-bromothieno[2,3-b]pyridine-5-carboxylic acid?
The IUPAC name of 2-bromothieno[2,3-b]pyridine-5-carboxylic acid (CID 82665417) is 2-bromothieno[2,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-bromothieno[2,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for 2-bromothieno[2,3-b]pyridine-5-carboxylic acid is O=C(O)c1cnc2sc(Br)cc2c1.
What is the InChIKey of 2-bromothieno[2,3-b]pyridine-5-carboxylic acid?
The InChIKey is SEJJNHCYZBRFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrNO2S/c9-6-2-4-1-5(8(11)12)3-10-7(4)13-6/h1-3H,(H,11,12).
What are the key properties of 2-bromothieno[2,3-b]pyridine-5-carboxylic acid?
2-bromothieno[2,3-b]pyridine-5-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 2-bromothieno[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 82665417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).