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

C7H8BrN3O — CID 46738999

IUPACN-(5-amino-3-bromo-2-pyridinyl)acetamide
SMILESCC(=O)Nc1ncc(N)cc1Br
InChIInChI=1S/C7H8BrN3O/c1-4(12)11-7-6(8)2-5(9)3-10-7/h2-3H,9H2,1H3,(H,10,11,12)
InChIKeyPLNRSPZYYCMLTP-UHFFFAOYSA-N
MW230.06 g/mol
LogP1.38
Rot. Bonds1

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

N-(5-amino-3-bromo-2-pyridinyl)acetamide (PubChem CID 46738999) has the molecular formula C7H8BrN3O and a molecular weight of 230.06 g/mol. Its IUPAC name is N-(5-amino-3-bromo-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(5-amino-3-bromo-2-pyridinyl)acetamide
PubChem CID46738999
Molecular FormulaC7H8BrN3O
Molecular Weight230.06 g/mol
Exact Mass228.99
IUPAC NameN-(5-amino-3-bromo-2-pyridinyl)acetamide
SMILESCC(=O)Nc1ncc(N)cc1Br
InChIInChI=1S/C7H8BrN3O/c1-4(12)11-7-6(8)2-5(9)3-10-7/h2-3H,9H2,1H3,(H,10,11,12)
InChIKeyPLNRSPZYYCMLTP-UHFFFAOYSA-N
XLogP1.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-bromo-2-pyridinyl)acetamide?
The IUPAC name of N-(5-amino-3-bromo-2-pyridinyl)acetamide (CID 46738999) is N-(5-amino-3-bromo-2-pyridinyl)acetamide.
What is the SMILES notation for N-(5-amino-3-bromo-2-pyridinyl)acetamide?
The canonical SMILES for N-(5-amino-3-bromo-2-pyridinyl)acetamide is CC(=O)Nc1ncc(N)cc1Br.
What is the InChIKey of N-(5-amino-3-bromo-2-pyridinyl)acetamide?
The InChIKey is PLNRSPZYYCMLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O/c1-4(12)11-7-6(8)2-5(9)3-10-7/h2-3H,9H2,1H3,(H,10,11,12).
What are the key properties of N-(5-amino-3-bromo-2-pyridinyl)acetamide?
N-(5-amino-3-bromo-2-pyridinyl)acetamide has a molecular weight of 230.06 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3-bromo-2-pyridinyl)acetamide is sourced from PubChem (CID 46738999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).