N-(2-bromo-5-methyl-3-pyridinyl)acetamide

C8H9BrN2O — CID 13467716

IUPACN-(2-bromo-5-methyl-3-pyridinyl)acetamide
SMILESCC(=O)Nc1cc(C)cnc1Br
InChIInChI=1S/C8H9BrN2O/c1-5-3-7(11-6(2)12)8(9)10-4-5/h3-4H,1-2H3,(H,11,12)
InChIKeyZQJGMFKHEDYFSC-UHFFFAOYSA-N
MW229.08 g/mol
LogP2.11
Rot. Bonds1

About N-(2-bromo-5-methyl-3-pyridinyl)acetamide

N-(2-bromo-5-methyl-3-pyridinyl)acetamide (PubChem CID 13467716) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is N-(2-bromo-5-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-5-methyl-3-pyridinyl)acetamide
PubChem CID13467716
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC NameN-(2-bromo-5-methyl-3-pyridinyl)acetamide
SMILESCC(=O)Nc1cc(C)cnc1Br
InChIInChI=1S/C8H9BrN2O/c1-5-3-7(11-6(2)12)8(9)10-4-5/h3-4H,1-2H3,(H,11,12)
InChIKeyZQJGMFKHEDYFSC-UHFFFAOYSA-N
XLogP2.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 52.11
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-(2-bromo-5-methyl-3-pyridinyl)prop-2-ynamide
CID 130595304
N-(2-bromo-5-chloro-3-pyridinyl)acetamide
CID 130535452
2-bromo-N,5-dimethylpyridin-3-amine
CID 130595273
2-bromo-5-methyl-N-propan-2-ylpyridin-3-amine
CID 130595242
N-(2-bromo-5-methyl-3-pyridinyl)-1-chloromethanesulfonamide
CID 130595270
N-(3-bromo-2-hydroxy-5-methylphenyl)acetamide
CID 126991929
2-bromo-N-(2-bromo-5-chloro-3-pyridinyl)acetamide
CID 130535402
2-bromo-N-(2-methoxypropyl)-5-methylpyridin-3-amine
CID 131137663
N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]phenyl]acetamide
CID 105367745
1-(3-bromo-5-methyl-2-pyridinyl)-3-methylurea
CID 127009526
2-bromo-5-methylpyridine-3-carbaldehyde
CID 70701053
N-(2-bromo-5-methoxy-3-pyridinyl)-2,2-dimethylpropanamide
CID 46737856

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methyl-3-pyridinyl)acetamide?
The IUPAC name of N-(2-bromo-5-methyl-3-pyridinyl)acetamide (CID 13467716) is N-(2-bromo-5-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for N-(2-bromo-5-methyl-3-pyridinyl)acetamide?
The canonical SMILES for N-(2-bromo-5-methyl-3-pyridinyl)acetamide is CC(=O)Nc1cc(C)cnc1Br.
What is the InChIKey of N-(2-bromo-5-methyl-3-pyridinyl)acetamide?
The InChIKey is ZQJGMFKHEDYFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c1-5-3-7(11-6(2)12)8(9)10-4-5/h3-4H,1-2H3,(H,11,12).
What are the key properties of N-(2-bromo-5-methyl-3-pyridinyl)acetamide?
N-(2-bromo-5-methyl-3-pyridinyl)acetamide has a molecular weight of 229.08 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 13467716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).