N-(5-bromo-2-chlorophenyl)-3-chloropyrazin-2-amine

C10H6BrCl2N3 — CID 62910149

IUPACN-(5-bromo-2-chlorophenyl)-3-chloropyrazin-2-amine
SMILESClc1ccc(Br)cc1Nc1nccnc1Cl
InChIInChI=1S/C10H6BrCl2N3/c11-6-1-2-7(12)8(5-6)16-10-9(13)14-3-4-15-10/h1-5H,(H,15,16)
InChIKeyIQIPJORGSGLBNW-UHFFFAOYSA-N
MW318.99 g/mol
LogP4.29
Rot. Bonds2

About N-(5-bromo-2-chlorophenyl)-3-chloropyrazin-2-amine

N-(5-bromo-2-chlorophenyl)-3-chloropyrazin-2-amine (PubChem CID 62910149) has the molecular formula C10H6BrCl2N3 and a molecular weight of 318.99 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-3-chloropyrazin-2-amine.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-3-chloropyrazin-2-amine
PubChem CID62910149
Molecular FormulaC10H6BrCl2N3
Molecular Weight318.99 g/mol
Exact Mass316.91
IUPAC NameN-(5-bromo-2-chlorophenyl)-3-chloropyrazin-2-amine
SMILESClc1ccc(Br)cc1Nc1nccnc1Cl
InChIInChI=1S/C10H6BrCl2N3/c11-6-1-2-7(12)8(5-6)16-10-9(13)14-3-4-15-10/h1-5H,(H,15,16)
InChIKeyIQIPJORGSGLBNW-UHFFFAOYSA-N
XLogP4.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.99
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-3-chloropyrazin-2-amine?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-3-chloropyrazin-2-amine (CID 62910149) is N-(5-bromo-2-chlorophenyl)-3-chloropyrazin-2-amine.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-3-chloropyrazin-2-amine?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-3-chloropyrazin-2-amine is Clc1ccc(Br)cc1Nc1nccnc1Cl.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-3-chloropyrazin-2-amine?
The InChIKey is IQIPJORGSGLBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2N3/c11-6-1-2-7(12)8(5-6)16-10-9(13)14-3-4-15-10/h1-5H,(H,15,16).
What are the key properties of N-(5-bromo-2-chlorophenyl)-3-chloropyrazin-2-amine?
N-(5-bromo-2-chlorophenyl)-3-chloropyrazin-2-amine has a molecular weight of 318.99 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-3-chloropyrazin-2-amine is sourced from PubChem (CID 62910149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).