2-bromo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid

C7H3BrN2O2S — CID 84709626

IUPAC2-bromo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2sc(Br)nc2c1
InChIInChI=1S/C7H3BrN2O2S/c8-7-10-4-1-3(6(11)12)2-9-5(4)13-7/h1-2H,(H,11,12)
InChIKeyXMVLNGVYRLSBPQ-UHFFFAOYSA-N
MW259.08 g/mol
LogP2.15
Rot. Bonds1

About 2-bromo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid

2-bromo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 84709626) has the molecular formula C7H3BrN2O2S and a molecular weight of 259.08 g/mol. Its IUPAC name is 2-bromo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-bromo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID84709626
Molecular FormulaC7H3BrN2O2S
Molecular Weight259.08 g/mol
Exact Mass257.91
IUPAC Name2-bromo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2sc(Br)nc2c1
InChIInChI=1S/C7H3BrN2O2S/c8-7-10-4-1-3(6(11)12)2-9-5(4)13-7/h1-2H,(H,11,12)
InChIKeyXMVLNGVYRLSBPQ-UHFFFAOYSA-N
XLogP2.15
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.08
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromothieno[2,3-b]pyridine-5-carboxylic acid
CID 82665417
2-[(4-cyanoanilino)methyl]-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid
CID 150212570
2-(difluoromethyl)thieno[2,3-b]pyridine-5-carboxylic acid
CID 84692457
2-chlorothieno[2,3-b]pyrazine-6-carboxylic acid
CID 86680166
6,7-dihydroxyquinoline-3-carboxylic acid
CID 135795174
8-bromoquinoline-3-carboxylic acid;hydrate
CID 71710960
5-bromo-6-chloropyridine-3-carboxylic acid;hydrazine
CID 174723335
7-amino-6-methylquinoline-3-carboxylic acid
CID 129276404
6-chloroquinoline-3-carboxylic acid
CID 14241492
6-hydroxyquinoline-3-carboxylic acid
CID 58902455
2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine-6-carboxylic acid
CID 83819985
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113

Frequently Asked Questions

What is the IUPAC name of 2-bromo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-bromo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid (CID 84709626) is 2-bromo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-bromo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-bromo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid is O=C(O)c1cnc2sc(Br)nc2c1.
What is the InChIKey of 2-bromo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is XMVLNGVYRLSBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrN2O2S/c8-7-10-4-1-3(6(11)12)2-9-5(4)13-7/h1-2H,(H,11,12).
What are the key properties of 2-bromo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid?
2-bromo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 259.08 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 84709626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).