6-(5-bromothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid

C13H12BrNO2S — CID 116533474

IUPAC6-(5-bromothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
SMILESCC(C)c1nc(-c2ccc(Br)s2)ccc1C(=O)O
InChIInChI=1S/C13H12BrNO2S/c1-7(2)12-8(13(16)17)3-4-9(15-12)10-5-6-11(14)18-10/h3-7H,1-2H3,(H,16,17)
InChIKeyOUCGWMWGEVHVCB-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.39
Rot. Bonds3

About 6-(5-bromothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid

6-(5-bromothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid (PubChem CID 116533474) has the molecular formula C13H12BrNO2S and a molecular weight of 326.22 g/mol. Its IUPAC name is 6-(5-bromothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(5-bromothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
PubChem CID116533474
Molecular FormulaC13H12BrNO2S
Molecular Weight326.22 g/mol
Exact Mass324.98
IUPAC Name6-(5-bromothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
SMILESCC(C)c1nc(-c2ccc(Br)s2)ccc1C(=O)O
InChIInChI=1S/C13H12BrNO2S/c1-7(2)12-8(13(16)17)3-4-9(15-12)10-5-6-11(14)18-10/h3-7H,1-2H3,(H,16,17)
InChIKeyOUCGWMWGEVHVCB-UHFFFAOYSA-N
XLogP4.39
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(5-chlorothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533409
6-(5-bromothiophen-2-yl)-2-(methylamino)pyridine-3-carboxylic acid
CID 82124982
2-(5-bromothiophen-2-yl)-7,8-dimethylquinoline-4-carboxylic acid
CID 63462150
6-(2,4-dichloro-5-fluorophenyl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533410
6-(1-benzofuran-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533402
6-(2-nitrophenyl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533517
6-(5-bromothiophen-2-yl)-3-methoxypyridazine-4-carboxylic acid
CID 117127047
2-(5-bromothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid
CID 63463304
2-bromo-6-propan-2-ylpyridine-3-carboxylic acid
CID 84704265
4-(5-bromothiophen-2-yl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 82135226
2-cyclopropyl-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid
CID 116533656
2-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-methylamino]propanoic acid
CID 122048800

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid?
The IUPAC name of 6-(5-bromothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid (CID 116533474) is 6-(5-bromothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(5-bromothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(5-bromothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid is CC(C)c1nc(-c2ccc(Br)s2)ccc1C(=O)O.
What is the InChIKey of 6-(5-bromothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid?
The InChIKey is OUCGWMWGEVHVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2S/c1-7(2)12-8(13(16)17)3-4-9(15-12)10-5-6-11(14)18-10/h3-7H,1-2H3,(H,16,17).
What are the key properties of 6-(5-bromothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid?
6-(5-bromothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid has a molecular weight of 326.22 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 116533474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).