N-(5-bromo-2-chloro-3-pyridinyl)-2,2-dimethylpropanamide

C10H12BrClN2O — CID 102979113

IUPACN-(5-bromo-2-chloro-3-pyridinyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(Br)cnc1Cl
InChIInChI=1S/C10H12BrClN2O/c1-10(2,3)9(15)14-7-4-6(11)5-13-8(7)12/h4-5H,1-3H3,(H,14,15)
InChIKeyQWERRRNDAVGMGZ-UHFFFAOYSA-N
MW291.58 g/mol
LogP3.48
Rot. Bonds1

About N-(5-bromo-2-chloro-3-pyridinyl)-2,2-dimethylpropanamide

N-(5-bromo-2-chloro-3-pyridinyl)-2,2-dimethylpropanamide (PubChem CID 102979113) has the molecular formula C10H12BrClN2O and a molecular weight of 291.58 g/mol. Its IUPAC name is N-(5-bromo-2-chloro-3-pyridinyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-2-chloro-3-pyridinyl)-2,2-dimethylpropanamide
PubChem CID102979113
Molecular FormulaC10H12BrClN2O
Molecular Weight291.58 g/mol
Exact Mass289.98
IUPAC NameN-(5-bromo-2-chloro-3-pyridinyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(Br)cnc1Cl
InChIInChI=1S/C10H12BrClN2O/c1-10(2,3)9(15)14-7-4-6(11)5-13-8(7)12/h4-5H,1-3H3,(H,14,15)
InChIKeyQWERRRNDAVGMGZ-UHFFFAOYSA-N
XLogP3.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.58
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-chloro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 102979254
N-(5-bromo-2-chloro-3-pyridinyl)pyrimidine-5-carboxamide
CID 102979160
N-(5-bromo-2-chloro-3-pyridinyl)-3-methylbut-2-enamide
CID 102979388
N-(5-bromo-2-chloro-3-pyridinyl)cyclopent-3-ene-1-carboxamide
CID 102979401
N-(5-bromo-2-chloro-3-pyridinyl)-4,4,4-trifluorobutanamide
CID 102979349
3-[(5-bromo-2-chloro-3-pyridinyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114051902
N-(5-bromo-2-chloro-3-pyridinyl)hexanamide
CID 102979268
N-(5-bromo-2-chloro-3-pyridinyl)hexa-2,4-dienamide
CID 102979133
N-(5-bromo-2-chloro-3-pyridinyl)hydroxylamine
CID 88929261
N-(5-bromo-2-chloro-3-pyridinyl)oxane-4-carboxamide
CID 102979329
5-bromo-2-chloro-N-ethylpyridin-3-amine
CID 59619948
[(5-bromo-2-chloro-3-pyridinyl)amino]carbamic acid
CID 174663877

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)-2,2-dimethylpropanamide (CID 102979113) is N-(5-bromo-2-chloro-3-pyridinyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(5-bromo-2-chloro-3-pyridinyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(5-bromo-2-chloro-3-pyridinyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc(Br)cnc1Cl.
What is the InChIKey of N-(5-bromo-2-chloro-3-pyridinyl)-2,2-dimethylpropanamide?
The InChIKey is QWERRRNDAVGMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O/c1-10(2,3)9(15)14-7-4-6(11)5-13-8(7)12/h4-5H,1-3H3,(H,14,15).
What are the key properties of N-(5-bromo-2-chloro-3-pyridinyl)-2,2-dimethylpropanamide?
N-(5-bromo-2-chloro-3-pyridinyl)-2,2-dimethylpropanamide has a molecular weight of 291.58 g/mol, XLogP of 3.48, 1 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)-2,2-dimethylpropanamide is sourced from PubChem (CID 102979113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).