2-bromo-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide

C16H11BrN2OS — CID 103754168

IUPAC2-bromo-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccccc1-c1cccs1)c1ccnc(Br)c1
InChIInChI=1S/C16H11BrN2OS/c17-15-10-11(7-8-18-15)16(20)19-13-5-2-1-4-12(13)14-6-3-9-21-14/h1-10H,(H,19,20)
InChIKeyLWUWQHSOQWIXHU-UHFFFAOYSA-N
MW359.25 g/mol
LogP4.82
Rot. Bonds3

About 2-bromo-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide

2-bromo-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide (PubChem CID 103754168) has the molecular formula C16H11BrN2OS and a molecular weight of 359.25 g/mol. Its IUPAC name is 2-bromo-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide
PubChem CID103754168
Molecular FormulaC16H11BrN2OS
Molecular Weight359.25 g/mol
Exact Mass357.98
IUPAC Name2-bromo-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccccc1-c1cccs1)c1ccnc(Br)c1
InChIInChI=1S/C16H11BrN2OS/c17-15-10-11(7-8-18-15)16(20)19-13-5-2-1-4-12(13)14-6-3-9-21-14/h1-10H,(H,19,20)
InChIKeyLWUWQHSOQWIXHU-UHFFFAOYSA-N
XLogP4.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 54.82
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

3-bromo-N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 60778239
N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 17412743
5-bromo-N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 47131134
2-[2-[(2-bromopyridine-4-carbonyl)amino]phenyl]acetic acid
CID 103803916
2-bromo-N-[2-(dimethylamino)phenyl]pyridine-4-carboxamide
CID 103752344
2-bromo-N-(2-nitrophenyl)pyridine-4-carboxamide
CID 114037408
2-bromo-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide
CID 103758980
3-(diethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide
CID 55469920
2-bromo-N-quinolin-5-ylpyridine-4-carboxamide
CID 103751909
3-fluoro-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide
CID 115645633
2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]pyridine-4-carboxamide
CID 103752467
3-methyl-N-(2-thiophen-2-ylphenyl)-1,2-oxazole-5-carboxamide
CID 47131140

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide (CID 103754168) is 2-bromo-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide is O=C(Nc1ccccc1-c1cccs1)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide?
The InChIKey is LWUWQHSOQWIXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2OS/c17-15-10-11(7-8-18-15)16(20)19-13-5-2-1-4-12(13)14-6-3-9-21-14/h1-10H,(H,19,20).
What are the key properties of 2-bromo-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide?
2-bromo-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide has a molecular weight of 359.25 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 103754168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).