N-(5-bromo-2-chloro-3-pyridinyl)-3-methylbut-2-enamide

C10H10BrClN2O — CID 102979388

IUPACN-(5-bromo-2-chloro-3-pyridinyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)Nc1cc(Br)cnc1Cl
InChIInChI=1S/C10H10BrClN2O/c1-6(2)3-9(15)14-8-4-7(11)5-13-10(8)12/h3-5H,1-2H3,(H,14,15)
InChIKeyRYQOGAMBUBMRID-UHFFFAOYSA-N
MW289.56 g/mol
LogP3.40
Rot. Bonds2

About N-(5-bromo-2-chloro-3-pyridinyl)-3-methylbut-2-enamide

N-(5-bromo-2-chloro-3-pyridinyl)-3-methylbut-2-enamide (PubChem CID 102979388) has the molecular formula C10H10BrClN2O and a molecular weight of 289.56 g/mol. Its IUPAC name is N-(5-bromo-2-chloro-3-pyridinyl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(5-bromo-2-chloro-3-pyridinyl)-3-methylbut-2-enamide
PubChem CID102979388
Molecular FormulaC10H10BrClN2O
Molecular Weight289.56 g/mol
Exact Mass287.97
IUPAC NameN-(5-bromo-2-chloro-3-pyridinyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)Nc1cc(Br)cnc1Cl
InChIInChI=1S/C10H10BrClN2O/c1-6(2)3-9(15)14-8-4-7(11)5-13-10(8)12/h3-5H,1-2H3,(H,14,15)
InChIKeyRYQOGAMBUBMRID-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.56
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-chloro-3-pyridinyl)hexa-2,4-dienamide
CID 102979133
N-(5-bromo-2-chloro-3-pyridinyl)-2,2-dimethylpropanamide
CID 102979113
N-(5-bromo-2-chloro-3-pyridinyl)hexanamide
CID 102979268
N-(5-bromo-4-chloro-2-pyridinyl)-3-methylbut-2-enamide
CID 130834673
N-(5-bromo-2-chloro-3-pyridinyl)pyrimidine-5-carboxamide
CID 102979160
4-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 102979147
N-(5-bromo-2-chloro-3-pyridinyl)hydroxylamine
CID 88929261
N-(5-bromo-2-chloro-3-pyridinyl)cyclopent-3-ene-1-carboxamide
CID 102979401
[(5-bromo-2-chloro-3-pyridinyl)amino]carbamic acid
CID 174663877
3-[(5-bromo-2-chloro-3-pyridinyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114051902
N-(5-bromo-2-chloro-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 102979134
N-(5-bromo-2-chloro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 102979254

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)-3-methylbut-2-enamide?
The IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)-3-methylbut-2-enamide (CID 102979388) is N-(5-bromo-2-chloro-3-pyridinyl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(5-bromo-2-chloro-3-pyridinyl)-3-methylbut-2-enamide?
The canonical SMILES for N-(5-bromo-2-chloro-3-pyridinyl)-3-methylbut-2-enamide is CC(C)=CC(=O)Nc1cc(Br)cnc1Cl.
What is the InChIKey of N-(5-bromo-2-chloro-3-pyridinyl)-3-methylbut-2-enamide?
The InChIKey is RYQOGAMBUBMRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2O/c1-6(2)3-9(15)14-8-4-7(11)5-13-10(8)12/h3-5H,1-2H3,(H,14,15).
What are the key properties of N-(5-bromo-2-chloro-3-pyridinyl)-3-methylbut-2-enamide?
N-(5-bromo-2-chloro-3-pyridinyl)-3-methylbut-2-enamide has a molecular weight of 289.56 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chloro-3-pyridinyl)-3-methylbut-2-enamide is sourced from PubChem (CID 102979388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).