2-(5-bromo-2-chloro-3-pyridinyl)acetamide

C7H6BrClN2O — CID 131075466

IUPAC2-(5-bromo-2-chloro-3-pyridinyl)acetamide
SMILESNC(=O)Cc1cc(Br)cnc1Cl
InChIInChI=1S/C7H6BrClN2O/c8-5-1-4(2-6(10)12)7(9)11-3-5/h1,3H,2H2,(H2,10,12)
InChIKeyWFIDBXHIPLSNEC-UHFFFAOYSA-N
MW249.49 g/mol
LogP1.53
Rot. Bonds2

About 2-(5-bromo-2-chloro-3-pyridinyl)acetamide

2-(5-bromo-2-chloro-3-pyridinyl)acetamide (PubChem CID 131075466) has the molecular formula C7H6BrClN2O and a molecular weight of 249.49 g/mol. Its IUPAC name is 2-(5-bromo-2-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-chloro-3-pyridinyl)acetamide
PubChem CID131075466
Molecular FormulaC7H6BrClN2O
Molecular Weight249.49 g/mol
Exact Mass247.94
IUPAC Name2-(5-bromo-2-chloro-3-pyridinyl)acetamide
SMILESNC(=O)Cc1cc(Br)cnc1Cl
InChIInChI=1S/C7H6BrClN2O/c8-5-1-4(2-6(10)12)7(9)11-3-5/h1,3H,2H2,(H2,10,12)
InChIKeyWFIDBXHIPLSNEC-UHFFFAOYSA-N
XLogP1.53
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.49
LogP ≤ 51.53
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

5-bromo-2-chloro-3-(chloromethyl)pyridine
CID 42544310
5-bromo-2-chloropyridine-3-carboxamide
CID 12629794
N-(4-amino-4-oxobutyl)-5-bromo-2-chloropyridine-3-carboxamide
CID 62000055
5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid
CID 167685517
2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]acetamide
CID 103583156
2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]oxyacetamide
CID 107856770
N-(4-amino-4-oxobutan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide
CID 115664789
2-(2-chloro-5-hydroxy-3-pyridinyl)acetic acid
CID 119006519
5-bromo-2-chloro-N-methoxypyridine-3-carboxamide
CID 103636119
S-(5-bromo-2-chloro-3-pyridinyl)thiohydroxylamine
CID 146211561
(2-amino-5-bromo-3-pyridinyl)methanol
CID 10891366
N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide
CID 62000658

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chloro-3-pyridinyl)acetamide?
The IUPAC name of 2-(5-bromo-2-chloro-3-pyridinyl)acetamide (CID 131075466) is 2-(5-bromo-2-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-chloro-3-pyridinyl)acetamide?
The canonical SMILES for 2-(5-bromo-2-chloro-3-pyridinyl)acetamide is NC(=O)Cc1cc(Br)cnc1Cl.
What is the InChIKey of 2-(5-bromo-2-chloro-3-pyridinyl)acetamide?
The InChIKey is WFIDBXHIPLSNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClN2O/c8-5-1-4(2-6(10)12)7(9)11-3-5/h1,3H,2H2,(H2,10,12).
What are the key properties of 2-(5-bromo-2-chloro-3-pyridinyl)acetamide?
2-(5-bromo-2-chloro-3-pyridinyl)acetamide has a molecular weight of 249.49 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 131075466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).