6-(5-bromothiophen-2-yl)-2-(methylamino)pyridine-3-carboxylic acid

C11H9BrN2O2S — CID 82124982

IUPAC6-(5-bromothiophen-2-yl)-2-(methylamino)pyridine-3-carboxylic acid
SMILESCNc1nc(-c2ccc(Br)s2)ccc1C(=O)O
InChIInChI=1S/C11H9BrN2O2S/c1-13-10-6(11(15)16)2-3-7(14-10)8-4-5-9(12)17-8/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyKMPOIOJOSYNQCF-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.31
Rot. Bonds3

About 6-(5-bromothiophen-2-yl)-2-(methylamino)pyridine-3-carboxylic acid

6-(5-bromothiophen-2-yl)-2-(methylamino)pyridine-3-carboxylic acid (PubChem CID 82124982) has the molecular formula C11H9BrN2O2S and a molecular weight of 313.18 g/mol. Its IUPAC name is 6-(5-bromothiophen-2-yl)-2-(methylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(5-bromothiophen-2-yl)-2-(methylamino)pyridine-3-carboxylic acid
PubChem CID82124982
Molecular FormulaC11H9BrN2O2S
Molecular Weight313.18 g/mol
Exact Mass311.96
IUPAC Name6-(5-bromothiophen-2-yl)-2-(methylamino)pyridine-3-carboxylic acid
SMILESCNc1nc(-c2ccc(Br)s2)ccc1C(=O)O
InChIInChI=1S/C11H9BrN2O2S/c1-13-10-6(11(15)16)2-3-7(14-10)8-4-5-9(12)17-8/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyKMPOIOJOSYNQCF-UHFFFAOYSA-N
XLogP3.31
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-bromothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533474
6-(5-bromothiophen-2-yl)-2-(methylamino)pyridine-3-carbonitrile
CID 62198063
2-(methylamino)-6-(4-propylphenyl)pyridine-3-carboxylic acid
CID 82123790
6-(2,5-difluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid
CID 82122308
6-(5-bromothiophen-2-yl)-N-methylpyridazin-3-amine
CID 62203714
2-(5-bromothiophen-2-yl)-7,8-dimethylquinoline-4-carboxylic acid
CID 63462150
6-(5-bromothiophen-2-yl)-3-methoxypyridazine-4-carboxylic acid
CID 117127047
5-(5-bromothiophen-2-yl)-2H-triazole-4-carboxylic acid
CID 83665111
2-(5-bromothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid
CID 63463304
6-chloro-2-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 63376973
6-(5-chlorothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533409
4-(5-bromothiophen-2-yl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 82135226

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromothiophen-2-yl)-2-(methylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(5-bromothiophen-2-yl)-2-(methylamino)pyridine-3-carboxylic acid (CID 82124982) is 6-(5-bromothiophen-2-yl)-2-(methylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(5-bromothiophen-2-yl)-2-(methylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(5-bromothiophen-2-yl)-2-(methylamino)pyridine-3-carboxylic acid is CNc1nc(-c2ccc(Br)s2)ccc1C(=O)O.
What is the InChIKey of 6-(5-bromothiophen-2-yl)-2-(methylamino)pyridine-3-carboxylic acid?
The InChIKey is KMPOIOJOSYNQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2S/c1-13-10-6(11(15)16)2-3-7(14-10)8-4-5-9(12)17-8/h2-5H,1H3,(H,13,14)(H,15,16).
What are the key properties of 6-(5-bromothiophen-2-yl)-2-(methylamino)pyridine-3-carboxylic acid?
6-(5-bromothiophen-2-yl)-2-(methylamino)pyridine-3-carboxylic acid has a molecular weight of 313.18 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromothiophen-2-yl)-2-(methylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 82124982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).