6-(4-bromothiophen-2-yl)-2-propylpyridine-3-carboxylic acid

C13H12BrNO2S — CID 107355263

IUPAC6-(4-bromothiophen-2-yl)-2-propylpyridine-3-carboxylic acid
SMILESCCCc1nc(-c2cc(Br)cs2)ccc1C(=O)O
InChIInChI=1S/C13H12BrNO2S/c1-2-3-10-9(13(16)17)4-5-11(15-10)12-6-8(14)7-18-12/h4-7H,2-3H2,1H3,(H,16,17)
InChIKeyYNHPDQPBFGRHQJ-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.22
Rot. Bonds4

About 6-(4-bromothiophen-2-yl)-2-propylpyridine-3-carboxylic acid

6-(4-bromothiophen-2-yl)-2-propylpyridine-3-carboxylic acid (PubChem CID 107355263) has the molecular formula C13H12BrNO2S and a molecular weight of 326.22 g/mol. Its IUPAC name is 6-(4-bromothiophen-2-yl)-2-propylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-bromothiophen-2-yl)-2-propylpyridine-3-carboxylic acid
PubChem CID107355263
Molecular FormulaC13H12BrNO2S
Molecular Weight326.22 g/mol
Exact Mass324.98
IUPAC Name6-(4-bromothiophen-2-yl)-2-propylpyridine-3-carboxylic acid
SMILESCCCc1nc(-c2cc(Br)cs2)ccc1C(=O)O
InChIInChI=1S/C13H12BrNO2S/c1-2-3-10-9(13(16)17)4-5-11(15-10)12-6-8(14)7-18-12/h4-7H,2-3H2,1H3,(H,16,17)
InChIKeyYNHPDQPBFGRHQJ-UHFFFAOYSA-N
XLogP4.22
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(5-bromo-2-fluorophenyl)-2-propylpyridine-3-carboxylic acid
CID 116533195
6-phenyl-2-propylpyridine-3-carboxylic acid
CID 112693851
5-(4-bromothiophen-2-yl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 106510799
4-(4-bromothiophen-2-yl)pyrimidine-2-carboxylic acid
CID 116899757
6-(1-ethylpyrazol-4-yl)-2-propylpyridine-3-carboxylic acid
CID 116533312
2-bromo-4-propyl-1,3-thiazole-5-carboxylic acid
CID 13015610
2-ethyl-6-(4-ethylphenyl)pyridine-3-carboxylic acid
CID 116532989
2-ethyl-6-phenylpyridine-3-carboxylic acid
CID 91810897
2-(4-bromothiophen-2-yl)-5,8-difluoroquinoline-4-carboxylic acid
CID 107354658
2-ethyl-6-(1,3-thiazol-2-yl)pyridine-3-carboxylic acid
CID 116533031
2-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]acetic acid
CID 82490190
2-(4-bromothiophen-2-yl)-6,7-difluoroquinoline-4-carboxylic acid
CID 107354657

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromothiophen-2-yl)-2-propylpyridine-3-carboxylic acid?
The IUPAC name of 6-(4-bromothiophen-2-yl)-2-propylpyridine-3-carboxylic acid (CID 107355263) is 6-(4-bromothiophen-2-yl)-2-propylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-bromothiophen-2-yl)-2-propylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-bromothiophen-2-yl)-2-propylpyridine-3-carboxylic acid is CCCc1nc(-c2cc(Br)cs2)ccc1C(=O)O.
What is the InChIKey of 6-(4-bromothiophen-2-yl)-2-propylpyridine-3-carboxylic acid?
The InChIKey is YNHPDQPBFGRHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2S/c1-2-3-10-9(13(16)17)4-5-11(15-10)12-6-8(14)7-18-12/h4-7H,2-3H2,1H3,(H,16,17).
What are the key properties of 6-(4-bromothiophen-2-yl)-2-propylpyridine-3-carboxylic acid?
6-(4-bromothiophen-2-yl)-2-propylpyridine-3-carboxylic acid has a molecular weight of 326.22 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromothiophen-2-yl)-2-propylpyridine-3-carboxylic acid is sourced from PubChem (CID 107355263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).