5-bromo-N-(2-methyl-3-pyridinyl)thiophene-2-carboxamide

C11H9BrN2OS — CID 79043907

IUPAC5-bromo-N-(2-methyl-3-pyridinyl)thiophene-2-carboxamide
SMILESCc1ncccc1NC(=O)c1ccc(Br)s1
InChIInChI=1S/C11H9BrN2OS/c1-7-8(3-2-6-13-7)14-11(15)9-4-5-10(12)16-9/h2-6H,1H3,(H,14,15)
InChIKeyBCLLYUVXKSSHKI-UHFFFAOYSA-N
MW297.18 g/mol
LogP3.47
Rot. Bonds2

About 5-bromo-N-(2-methyl-3-pyridinyl)thiophene-2-carboxamide

5-bromo-N-(2-methyl-3-pyridinyl)thiophene-2-carboxamide (PubChem CID 79043907) has the molecular formula C11H9BrN2OS and a molecular weight of 297.18 g/mol. Its IUPAC name is 5-bromo-N-(2-methyl-3-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methyl-3-pyridinyl)thiophene-2-carboxamide
PubChem CID79043907
Molecular FormulaC11H9BrN2OS
Molecular Weight297.18 g/mol
Exact Mass295.96
IUPAC Name5-bromo-N-(2-methyl-3-pyridinyl)thiophene-2-carboxamide
SMILESCc1ncccc1NC(=O)c1ccc(Br)s1
InChIInChI=1S/C11H9BrN2OS/c1-7-8(3-2-6-13-7)14-11(15)9-4-5-10(12)16-9/h2-6H,1H3,(H,14,15)
InChIKeyBCLLYUVXKSSHKI-UHFFFAOYSA-N
XLogP3.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-bromo-3-pyridinyl)thiophene-2-carboxamide
CID 103819443
5-chloro-N-(2-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617853
5-bromo-N-(2-propan-2-ylphenyl)thiophene-2-carboxamide
CID 26290740
5-bromo-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide chloride
CID 53352579
5-bromo-N-(2-phenylphenyl)thiophene-2-carboxamide
CID 1246451
2-amino-5-bromo-N-(2-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 79044111
5-bromo-N-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide
CID 1245199
2-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 71985815
4-bromo-3-hydroxy-N-(2-methyl-3-pyridinyl)benzamide
CID 103957362
3-amino-2-bromo-N-(2-methyl-3-pyridinyl)benzamide
CID 113367036
5-bromo-2-hydroxy-N-(2-methyl-3-pyridinyl)benzamide
CID 103715623
N-(2-methyl-3-pyridinyl)-2-sulfanylacetamide
CID 79044042

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methyl-3-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-methyl-3-pyridinyl)thiophene-2-carboxamide (CID 79043907) is 5-bromo-N-(2-methyl-3-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methyl-3-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methyl-3-pyridinyl)thiophene-2-carboxamide is Cc1ncccc1NC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-methyl-3-pyridinyl)thiophene-2-carboxamide?
The InChIKey is BCLLYUVXKSSHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS/c1-7-8(3-2-6-13-7)14-11(15)9-4-5-10(12)16-9/h2-6H,1H3,(H,14,15).
What are the key properties of 5-bromo-N-(2-methyl-3-pyridinyl)thiophene-2-carboxamide?
5-bromo-N-(2-methyl-3-pyridinyl)thiophene-2-carboxamide has a molecular weight of 297.18 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methyl-3-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 79043907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).