4-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid

C13H11BrN2O3S — CID 103790295

IUPAC4-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NCCc1ccc(Br)s1)c1ccnc(C(=O)O)c1
InChIInChI=1S/C13H11BrN2O3S/c14-11-2-1-9(20-11)4-6-16-12(17)8-3-5-15-10(7-8)13(18)19/h1-3,5,7H,4,6H2,(H,16,17)(H,18,19)
InChIKeyBLHZCKPOWCTKLM-UHFFFAOYSA-N
MW355.21 g/mol
LogP2.58
Rot. Bonds5

About 4-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid

4-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 103790295) has the molecular formula C13H11BrN2O3S and a molecular weight of 355.21 g/mol. Its IUPAC name is 4-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID103790295
Molecular FormulaC13H11BrN2O3S
Molecular Weight355.21 g/mol
Exact Mass353.97
IUPAC Name4-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NCCc1ccc(Br)s1)c1ccnc(C(=O)O)c1
InChIInChI=1S/C13H11BrN2O3S/c14-11-2-1-9(20-11)4-6-16-12(17)8-3-5-15-10(7-8)13(18)19/h1-3,5,7H,4,6H2,(H,16,17)(H,18,19)
InChIKeyBLHZCKPOWCTKLM-UHFFFAOYSA-N
XLogP2.58
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-thiophen-3-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 113352919
4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-3-hydroxybenzamide
CID 103872156
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide
CID 113228249
N-[2-(5-bromothiophen-2-yl)ethyl]-6-methylpyridine-3-carboxamide
CID 30389923
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(chloromethyl)benzamide
CID 106033728
4-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 113385015
4-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 112700659
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(chloromethyl)benzamide
CID 114138984
4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 30124717
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(dimethylamino)benzamide
CID 26082273
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide
CID 106050315
5-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821434

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid (CID 103790295) is 4-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid is O=C(NCCc1ccc(Br)s1)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is BLHZCKPOWCTKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3S/c14-11-2-1-9(20-11)4-6-16-12(17)8-3-5-15-10(7-8)13(18)19/h1-3,5,7H,4,6H2,(H,16,17)(H,18,19).
What are the key properties of 4-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
4-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 355.21 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 103790295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).