2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]acetamide

C8H9BrClN3O — CID 103583156

IUPAC2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]acetamide
SMILESCN(CC(N)=O)c1ncc(Br)cc1Cl
InChIInChI=1S/C8H9BrClN3O/c1-13(4-7(11)14)8-6(10)2-5(9)3-12-8/h2-3H,4H2,1H3,(H2,11,14)
InChIKeyIIRSXPVUISDOIX-UHFFFAOYSA-N
MW278.54 g/mol
LogP1.42
Rot. Bonds3

About 2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]acetamide

2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]acetamide (PubChem CID 103583156) has the molecular formula C8H9BrClN3O and a molecular weight of 278.54 g/mol. Its IUPAC name is 2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]acetamide.

Molecular Properties

Compound Name2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]acetamide
PubChem CID103583156
Molecular FormulaC8H9BrClN3O
Molecular Weight278.54 g/mol
Exact Mass276.96
IUPAC Name2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]acetamide
SMILESCN(CC(N)=O)c1ncc(Br)cc1Cl
InChIInChI=1S/C8H9BrClN3O/c1-13(4-7(11)14)8-6(10)2-5(9)3-12-8/h2-3H,4H2,1H3,(H2,11,14)
InChIKeyIIRSXPVUISDOIX-UHFFFAOYSA-N
XLogP1.42
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.54
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]propanethioamide
CID 103582230
3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 103580195
2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-methylamino]acetamide
CID 102761628
N-[(3-aminocyclobutyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine
CID 103584238
5-amino-6-[(2-amino-2-oxoethyl)-methylamino]pyridine-3-carboxylic acid
CID 81439195
N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine
CID 103582930
ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]acetate
CID 79718647
6-[2-(4-bromophenyl)ethyl-methylamino]-5-chloropyridine-3-carboxamide
CID 133292141
3-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanamide
CID 106097078
5-bromo-3-chloro-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine
CID 103584084
2-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-methylamino]acetamide
CID 80632786
2-(5-bromo-2-chloro-3-pyridinyl)acetamide
CID 131075466

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]acetamide?
The IUPAC name of 2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]acetamide (CID 103583156) is 2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]acetamide.
What is the SMILES notation for 2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]acetamide?
The canonical SMILES for 2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]acetamide is CN(CC(N)=O)c1ncc(Br)cc1Cl.
What is the InChIKey of 2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]acetamide?
The InChIKey is IIRSXPVUISDOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN3O/c1-13(4-7(11)14)8-6(10)2-5(9)3-12-8/h2-3H,4H2,1H3,(H2,11,14).
What are the key properties of 2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]acetamide?
2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]acetamide has a molecular weight of 278.54 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]acetamide is sourced from PubChem (CID 103583156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).