2-bromo-N-(3-bromo-2-pyridinyl)propanamide

C8H8Br2N2O — CID 107905388

IUPAC2-bromo-N-(3-bromo-2-pyridinyl)propanamide
SMILESCC(Br)C(=O)Nc1ncccc1Br
InChIInChI=1S/C8H8Br2N2O/c1-5(9)8(13)12-7-6(10)3-2-4-11-7/h2-5H,1H3,(H,11,12,13)
InChIKeyGCOFQFVTKZSSFY-UHFFFAOYSA-N
MW307.97 g/mol
LogP2.57
Rot. Bonds2

About 2-bromo-N-(3-bromo-2-pyridinyl)propanamide

2-bromo-N-(3-bromo-2-pyridinyl)propanamide (PubChem CID 107905388) has the molecular formula C8H8Br2N2O and a molecular weight of 307.97 g/mol. Its IUPAC name is 2-bromo-N-(3-bromo-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(3-bromo-2-pyridinyl)propanamide
PubChem CID107905388
Molecular FormulaC8H8Br2N2O
Molecular Weight307.97 g/mol
Exact Mass305.90
IUPAC Name2-bromo-N-(3-bromo-2-pyridinyl)propanamide
SMILESCC(Br)C(=O)Nc1ncccc1Br
InChIInChI=1S/C8H8Br2N2O/c1-5(9)8(13)12-7-6(10)3-2-4-11-7/h2-5H,1H3,(H,11,12,13)
InChIKeyGCOFQFVTKZSSFY-UHFFFAOYSA-N
XLogP2.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.97
LogP ≤ 52.57
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

2-amino-N-(3-bromo-2-pyridinyl)-3-methylpentanamide
CID 77071895
5-amino-N-(3-bromo-2-pyridinyl)-2-methylpentanamide
CID 104685237
2-bromo-N-(2-chloro-3-pyridinyl)propanamide
CID 107903037
N-(3-bromo-2-pyridinyl)but-2-ynamide
CID 107987937
3-[(3-bromo-2-pyridinyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82820933
4-[(3-bromo-2-pyridinyl)amino]-4-oxobut-2-enoic acid
CID 77071914
N-(3-bromo-2-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66335259
N-(3-bromo-2-pyridinyl)-2-methylsulfanylbenzamide
CID 79214209
3-(3-bromo-2-pyridinyl)-1-ethyl-1-methylurea
CID 79160439
2-bromo-N-quinolin-5-ylpropanamide
CID 107902854
(2R)-2-hydroxy-N-(3-methyl-2-pyridinyl)propanamide
CID 130662699
(2S)-2-amino-N-(3-hydroxy-2-pyridinyl)propanamide
CID 103630280

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-bromo-2-pyridinyl)propanamide?
The IUPAC name of 2-bromo-N-(3-bromo-2-pyridinyl)propanamide (CID 107905388) is 2-bromo-N-(3-bromo-2-pyridinyl)propanamide.
What is the SMILES notation for 2-bromo-N-(3-bromo-2-pyridinyl)propanamide?
The canonical SMILES for 2-bromo-N-(3-bromo-2-pyridinyl)propanamide is CC(Br)C(=O)Nc1ncccc1Br.
What is the InChIKey of 2-bromo-N-(3-bromo-2-pyridinyl)propanamide?
The InChIKey is GCOFQFVTKZSSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2N2O/c1-5(9)8(13)12-7-6(10)3-2-4-11-7/h2-5H,1H3,(H,11,12,13).
What are the key properties of 2-bromo-N-(3-bromo-2-pyridinyl)propanamide?
2-bromo-N-(3-bromo-2-pyridinyl)propanamide has a molecular weight of 307.97 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-bromo-2-pyridinyl)propanamide is sourced from PubChem (CID 107905388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).