2-bromo-N-(4-methyl-3-pyridinyl)acetamide

C8H9BrN2O — CID 63678424

IUPAC2-bromo-N-(4-methyl-3-pyridinyl)acetamide
SMILESCc1ccncc1NC(=O)CBr
InChIInChI=1S/C8H9BrN2O/c1-6-2-3-10-5-7(6)11-8(12)4-9/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyUAFPZFVPQJOTNB-UHFFFAOYSA-N
MW229.08 g/mol
LogP1.72
Rot. Bonds2

About 2-bromo-N-(4-methyl-3-pyridinyl)acetamide

2-bromo-N-(4-methyl-3-pyridinyl)acetamide (PubChem CID 63678424) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is 2-bromo-N-(4-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(4-methyl-3-pyridinyl)acetamide
PubChem CID63678424
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC Name2-bromo-N-(4-methyl-3-pyridinyl)acetamide
SMILESCc1ccncc1NC(=O)CBr
InChIInChI=1S/C8H9BrN2O/c1-6-2-3-10-5-7(6)11-8(12)4-9/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyUAFPZFVPQJOTNB-UHFFFAOYSA-N
XLogP1.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 51.72
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-(ethylamino)-N-(4-methyl-3-pyridinyl)acetamide
CID 63327490
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
N-(4-methyl-3-pyridinyl)-2-(propylamino)acetamide
CID 63327491
4-hydroxy-N-(4-methyl-3-pyridinyl)pentanamide
CID 79191742
N-(4-methyl-3-pyridinyl)-5-oxohexanamide
CID 75455735
2-(2-aminoethoxy)-N-(4-methyl-3-pyridinyl)acetamide
CID 79478693
2-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)acetamide
CID 56826552
methyl N-(4-methyl-3-pyridinyl)carbamate
CID 11672725
1-ethyl-3-(4-methyl-3-pyridinyl)urea
CID 115776522
N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 63327303
5-(4-bromophenyl)-N-(4-methyl-3-pyridinyl)pentanamide
CID 166195436
2-[3-(hydroxymethyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide
CID 154875992

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-methyl-3-pyridinyl)acetamide?
The IUPAC name of 2-bromo-N-(4-methyl-3-pyridinyl)acetamide (CID 63678424) is 2-bromo-N-(4-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-bromo-N-(4-methyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-bromo-N-(4-methyl-3-pyridinyl)acetamide is Cc1ccncc1NC(=O)CBr.
What is the InChIKey of 2-bromo-N-(4-methyl-3-pyridinyl)acetamide?
The InChIKey is UAFPZFVPQJOTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c1-6-2-3-10-5-7(6)11-8(12)4-9/h2-3,5H,4H2,1H3,(H,11,12).
What are the key properties of 2-bromo-N-(4-methyl-3-pyridinyl)acetamide?
2-bromo-N-(4-methyl-3-pyridinyl)acetamide has a molecular weight of 229.08 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 63678424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).