2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide

C8H8Br2N2O — CID 79734217

IUPAC2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
SMILESCc1cc(NC(=O)CBr)ncc1Br
InChIInChI=1S/C8H8Br2N2O/c1-5-2-7(11-4-6(5)10)12-8(13)3-9/h2,4H,3H2,1H3,(H,11,12,13)
InChIKeyBAGYTMMKVRZYEK-UHFFFAOYSA-N
MW307.97 g/mol
LogP2.49
Rot. Bonds2

About 2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide

2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide (PubChem CID 79734217) has the molecular formula C8H8Br2N2O and a molecular weight of 307.97 g/mol. Its IUPAC name is 2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
PubChem CID79734217
Molecular FormulaC8H8Br2N2O
Molecular Weight307.97 g/mol
Exact Mass305.90
IUPAC Name2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
SMILESCc1cc(NC(=O)CBr)ncc1Br
InChIInChI=1S/C8H8Br2N2O/c1-5-2-7(11-4-6(5)10)12-8(13)3-9/h2,4H,3H2,1H3,(H,11,12,13)
InChIKeyBAGYTMMKVRZYEK-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
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-4-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 79730214
2-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 79734408
N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 79729951
N-(5-bromo-4-methyl-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602862
N-(5-bromo-4-methyl-2-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 79734413
N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide
CID 80741257
1-(5-bromo-4-methyl-2-pyridinyl)-3-(2-chloroethyl)urea
CID 121473135
2-(azetidin-3-yl)-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734717
2-(1-aminocyclopentyl)-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734126
5-bromo-4-methylpyridin-2-amine;N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 162076548
(2S)-2-amino-N-(5-bromo-4-methyl-2-pyridinyl)propanamide
CID 79734122
N-(5-bromo-4-methyl-2-pyridinyl)azetidine-3-carboxamide
CID 79734229

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide (CID 79734217) is 2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide is Cc1cc(NC(=O)CBr)ncc1Br.
What is the InChIKey of 2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide?
The InChIKey is BAGYTMMKVRZYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2N2O/c1-5-2-7(11-4-6(5)10)12-8(13)3-9/h2,4H,3H2,1H3,(H,11,12,13).
What are the key properties of 2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide?
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide has a molecular weight of 307.97 g/mol, XLogP of 2.49, 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-4-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 79734217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).