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

C13H12ClNO2S — CID 116533409

IUPAC6-(5-chlorothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
SMILESCC(C)c1nc(-c2ccc(Cl)s2)ccc1C(=O)O
InChIInChI=1S/C13H12ClNO2S/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)
InChIKeyOJNNYAHWYNTUQH-UHFFFAOYSA-N
MW281.76 g/mol
LogP4.29
Rot. Bonds3

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

6-(5-chlorothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid (PubChem CID 116533409) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is 6-(5-chlorothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(5-chlorothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
PubChem CID116533409
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC Name6-(5-chlorothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
SMILESCC(C)c1nc(-c2ccc(Cl)s2)ccc1C(=O)O
InChIInChI=1S/C13H12ClNO2S/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)
InChIKeyOJNNYAHWYNTUQH-UHFFFAOYSA-N
XLogP4.29
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(5-bromothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533474
6-(2,4-dichloro-5-fluorophenyl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533410
methyl 6-(5-chlorothiophen-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 9459655
7-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid
CID 4016668
6-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid
CID 5024097
3-(5-chlorothiophen-2-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
CID 165454708
5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carboxylic acid
CID 71695554
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-chlorothiophen-2-yl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 62366086
3-amino-5-(5-chlorothiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid
CID 83035169
3-(5-chlorothiophen-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 82293487

Frequently Asked Questions

What is the IUPAC name of 6-(5-chlorothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid?
The IUPAC name of 6-(5-chlorothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid (CID 116533409) is 6-(5-chlorothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(5-chlorothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(5-chlorothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid is CC(C)c1nc(-c2ccc(Cl)s2)ccc1C(=O)O.
What is the InChIKey of 6-(5-chlorothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid?
The InChIKey is OJNNYAHWYNTUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/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-chlorothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid?
6-(5-chlorothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid has a molecular weight of 281.76 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chlorothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 116533409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).