5-bromo-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide chloride

C11H9BrClN2OS- — CID 53352579

IUPAC5-bromo-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide chloride
SMILESCc1ccnc(NC(=O)c2ccc(Br)s2)c1.[Cl-]
InChIInChI=1S/C11H9BrN2OS.ClH/c1-7-4-5-13-10(6-7)14-11(15)8-2-3-9(12)16-8;/h2-6H,1H3,(H,13,14,15);1H/p-1
InChIKeyHAOJHRWOPGVOJR-UHFFFAOYSA-M
MW332.63 g/mol
LogP0.47
Rot. Bonds2

About 5-bromo-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide chloride

5-bromo-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide chloride (PubChem CID 53352579) has the molecular formula C11H9BrClN2OS- and a molecular weight of 332.63 g/mol. Its IUPAC name is 5-bromo-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide chloride.

Molecular Properties

Compound Name5-bromo-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide chloride
PubChem CID53352579
Molecular FormulaC11H9BrClN2OS-
Molecular Weight332.63 g/mol
Exact Mass330.93
IUPAC Name5-bromo-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide chloride
SMILESCc1ccnc(NC(=O)c2ccc(Br)s2)c1.[Cl-]
InChIInChI=1S/C11H9BrN2OS.ClH/c1-7-4-5-13-10(6-7)14-11(15)8-2-3-9(12)16-8;/h2-6H,1H3,(H,13,14,15);1H/p-1
InChIKeyHAOJHRWOPGVOJR-UHFFFAOYSA-M
XLogP0.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dibromo-N-(4-methyl-2-pyridinyl)benzamide
CID 113349571
N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 35029727
5-amino-N-(4-methyl-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
CID 80616238
5-bromo-N-(2-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 79043907
2,4-dibromo-N-(4-methyl-2-pyridinyl)benzamide
CID 1234856
3-hydroxy-N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 54861359
4-bromo-2-hydroxy-N-(4-methyl-2-pyridinyl)benzamide
CID 47435797
N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 46307927
2-N,6-N-bis(4-methyl-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 4130002
5-bromo-N-(5-iodo-2-pyridinyl)thiophene-2-carboxamide
CID 65098648
4-methyl-N-(4-methyl-2-pyridinyl)-1,3-thiazole-5-carboxamide
CID 47265636
4-iodo-N-(4-methyl-2-pyridinyl)benzamide
CID 21204751

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide chloride?
The IUPAC name of 5-bromo-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide chloride (CID 53352579) is 5-bromo-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide chloride.
What is the SMILES notation for 5-bromo-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide chloride?
The canonical SMILES for 5-bromo-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide chloride is Cc1ccnc(NC(=O)c2ccc(Br)s2)c1.[Cl-].
What is the InChIKey of 5-bromo-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide chloride?
The InChIKey is HAOJHRWOPGVOJR-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H9BrN2OS.ClH/c1-7-4-5-13-10(6-7)14-11(15)8-2-3-9(12)16-8;/h2-6H,1H3,(H,13,14,15);1H/p-1.
What are the key properties of 5-bromo-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide chloride?
5-bromo-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide chloride has a molecular weight of 332.63 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide chloride is sourced from PubChem (CID 53352579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).