2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide

C9H10Br2N2O — CID 107905424

IUPAC2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide
SMILESCc1nc(NC(=O)C(C)Br)ccc1Br
InChIInChI=1S/C9H10Br2N2O/c1-5(10)9(14)13-8-4-3-7(11)6(2)12-8/h3-5H,1-2H3,(H,12,13,14)
InChIKeyAKZPUKQDAHSRDW-UHFFFAOYSA-N
MW322.00 g/mol
LogP2.87
Rot. Bonds2

About 2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide

2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide (PubChem CID 107905424) has the molecular formula C9H10Br2N2O and a molecular weight of 322.00 g/mol. Its IUPAC name is 2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide
PubChem CID107905424
Molecular FormulaC9H10Br2N2O
Molecular Weight322.00 g/mol
Exact Mass319.92
IUPAC Name2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide
SMILESCc1nc(NC(=O)C(C)Br)ccc1Br
InChIInChI=1S/C9H10Br2N2O/c1-5(10)9(14)13-8-4-3-7(11)6(2)12-8/h3-5H,1-2H3,(H,12,13,14)
InChIKeyAKZPUKQDAHSRDW-UHFFFAOYSA-N
XLogP2.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.00
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropropanamide
CID 79018492
N-(5-bromo-6-methyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanamide
CID 119050352
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide
CID 112555732
propan-2-yl N-(5-bromo-6-methyl-2-pyridinyl)carbamate
CID 79048971
N-(5-bromo-6-methyl-2-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 79048664
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)hexanamide
CID 113246337
(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
CID 79048870
(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide
CID 79048264
4-bromo-N-(5-bromo-6-methyl-2-pyridinyl)benzamide
CID 4509258
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-methoxypentanamide
CID 81102470
N-(5-bromo-6-methyl-2-pyridinyl)pentanamide
CID 2996808
N-(5-bromo-6-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide
CID 79048667

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide?
The IUPAC name of 2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide (CID 107905424) is 2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide is Cc1nc(NC(=O)C(C)Br)ccc1Br.
What is the InChIKey of 2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide?
The InChIKey is AKZPUKQDAHSRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2N2O/c1-5(10)9(14)13-8-4-3-7(11)6(2)12-8/h3-5H,1-2H3,(H,12,13,14).
What are the key properties of 2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide?
2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide has a molecular weight of 322.00 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 107905424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).