N-(6-bromopyrazin-2-yl)-2-chloroacetamide

C6H5BrClN3O — CID 130299627

IUPACN-(6-bromopyrazin-2-yl)-2-chloroacetamide
SMILESO=C(CCl)Nc1cncc(Br)n1
InChIInChI=1S/C6H5BrClN3O/c7-4-2-9-3-5(10-4)11-6(12)1-8/h2-3H,1H2,(H,10,11,12)
InChIKeyNETDVQTYVYPNLR-UHFFFAOYSA-N
MW250.48 g/mol
LogP1.42
Rot. Bonds2

About N-(6-bromopyrazin-2-yl)-2-chloroacetamide

N-(6-bromopyrazin-2-yl)-2-chloroacetamide (PubChem CID 130299627) has the molecular formula C6H5BrClN3O and a molecular weight of 250.48 g/mol. Its IUPAC name is N-(6-bromopyrazin-2-yl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(6-bromopyrazin-2-yl)-2-chloroacetamide
PubChem CID130299627
Molecular FormulaC6H5BrClN3O
Molecular Weight250.48 g/mol
Exact Mass248.93
IUPAC NameN-(6-bromopyrazin-2-yl)-2-chloroacetamide
SMILESO=C(CCl)Nc1cncc(Br)n1
InChIInChI=1S/C6H5BrClN3O/c7-4-2-9-3-5(10-4)11-6(12)1-8/h2-3H,1H2,(H,10,11,12)
InChIKeyNETDVQTYVYPNLR-UHFFFAOYSA-N
XLogP1.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.48
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromopyrazin-2-yl)-2-chloroacetamide?
The IUPAC name of N-(6-bromopyrazin-2-yl)-2-chloroacetamide (CID 130299627) is N-(6-bromopyrazin-2-yl)-2-chloroacetamide.
What is the SMILES notation for N-(6-bromopyrazin-2-yl)-2-chloroacetamide?
The canonical SMILES for N-(6-bromopyrazin-2-yl)-2-chloroacetamide is O=C(CCl)Nc1cncc(Br)n1.
What is the InChIKey of N-(6-bromopyrazin-2-yl)-2-chloroacetamide?
The InChIKey is NETDVQTYVYPNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClN3O/c7-4-2-9-3-5(10-4)11-6(12)1-8/h2-3H,1H2,(H,10,11,12).
What are the key properties of N-(6-bromopyrazin-2-yl)-2-chloroacetamide?
N-(6-bromopyrazin-2-yl)-2-chloroacetamide has a molecular weight of 250.48 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromopyrazin-2-yl)-2-chloroacetamide is sourced from PubChem (CID 130299627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).