6-bromo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide

C11H9BrN2OS — CID 103874120

IUPAC6-bromo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cccs1)c1cccc(Br)n1
InChIInChI=1S/C11H9BrN2OS/c12-10-5-1-4-9(14-10)11(15)13-7-8-3-2-6-16-8/h1-6H,7H2,(H,13,15)
InChIKeyZBIWFMZRUROLHH-UHFFFAOYSA-N
MW297.18 g/mol
LogP2.84
Rot. Bonds3

About 6-bromo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide

6-bromo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 103874120) has the molecular formula C11H9BrN2OS and a molecular weight of 297.18 g/mol. Its IUPAC name is 6-bromo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
PubChem CID103874120
Molecular FormulaC11H9BrN2OS
Molecular Weight297.18 g/mol
Exact Mass295.96
IUPAC Name6-bromo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cccs1)c1cccc(Br)n1
InChIInChI=1S/C11H9BrN2OS/c12-10-5-1-4-9(14-10)11(15)13-7-8-3-2-6-16-8/h1-6H,7H2,(H,13,15)
InChIKeyZBIWFMZRUROLHH-UHFFFAOYSA-N
XLogP2.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558368
6-fluoro-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 115496761
5-bromo-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134794015
2-(thiophen-2-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696608
6-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide
CID 103875321
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 110128983
2-(1-aminoethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 3832023
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
4-amino-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 62153900
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
methyl 3-[(6-bromopyridine-2-carbonyl)amino]propanoate
CID 18918524
6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62233796

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide (CID 103874120) is 6-bromo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide is O=C(NCc1cccs1)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is ZBIWFMZRUROLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS/c12-10-5-1-4-9(14-10)11(15)13-7-8-3-2-6-16-8/h1-6H,7H2,(H,13,15).
What are the key properties of 6-bromo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
6-bromo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 297.18 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 103874120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).