3-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide

C11H8BrClN2OS — CID 107519034

IUPAC3-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)s1)c1ncccc1Br
InChIInChI=1S/C11H8BrClN2OS/c12-8-2-1-5-14-10(8)11(16)15-6-7-3-4-9(13)17-7/h1-5H,6H2,(H,15,16)
InChIKeyJSGPHICPJJUINN-UHFFFAOYSA-N
MW331.62 g/mol
LogP3.49
Rot. Bonds3

About 3-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide

3-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 107519034) has the molecular formula C11H8BrClN2OS and a molecular weight of 331.62 g/mol. Its IUPAC name is 3-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide
PubChem CID107519034
Molecular FormulaC11H8BrClN2OS
Molecular Weight331.62 g/mol
Exact Mass329.92
IUPAC Name3-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)s1)c1ncccc1Br
InChIInChI=1S/C11H8BrClN2OS/c12-8-2-1-5-14-10(8)11(16)15-6-7-3-4-9(13)17-7/h1-5H,6H2,(H,15,16)
InChIKeyJSGPHICPJJUINN-UHFFFAOYSA-N
XLogP3.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.62
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(3-bromopyridine-2-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 107517313
3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 107519560
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide
CID 62998517
7-bromo-N-[(5-chlorothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 46460415
3,5-dibromo-N-[(5-chlorothiophen-2-yl)methyl]benzamide
CID 114023582
N-[(5-bromothiophen-2-yl)methyl]-5-chlorothiophene-2-carboxamide
CID 32775594
3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 107517841
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 107518917
N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55873365
4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-sulfanylbenzamide
CID 107030591
3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide
CID 107517564
N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxybenzamide
CID 114344423

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide (CID 107519034) is 3-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide is O=C(NCc1ccc(Cl)s1)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is JSGPHICPJJUINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2OS/c12-8-2-1-5-14-10(8)11(16)15-6-7-3-4-9(13)17-7/h1-5H,6H2,(H,15,16).
What are the key properties of 3-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide?
3-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 331.62 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 107519034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).