N-(4-bromophenyl)-5-chloropyrazin-2-amine

C10H7BrClN3 — CID 131014354

IUPACN-(4-bromophenyl)-5-chloropyrazin-2-amine
SMILESClc1cnc(Nc2ccc(Br)cc2)cn1
InChIInChI=1S/C10H7BrClN3/c11-7-1-3-8(4-2-7)15-10-6-13-9(12)5-14-10/h1-6H,(H,14,15)
InChIKeyVYRYYNZQBXFICZ-UHFFFAOYSA-N
MW284.54 g/mol
LogP3.64
Rot. Bonds2

About N-(4-bromophenyl)-5-chloropyrazin-2-amine

N-(4-bromophenyl)-5-chloropyrazin-2-amine (PubChem CID 131014354) has the molecular formula C10H7BrClN3 and a molecular weight of 284.54 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-chloropyrazin-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-chloropyrazin-2-amine
PubChem CID131014354
Molecular FormulaC10H7BrClN3
Molecular Weight284.54 g/mol
Exact Mass282.95
IUPAC NameN-(4-bromophenyl)-5-chloropyrazin-2-amine
SMILESClc1cnc(Nc2ccc(Br)cc2)cn1
InChIInChI=1S/C10H7BrClN3/c11-7-1-3-8(4-2-7)15-10-6-13-9(12)5-14-10/h1-6H,(H,14,15)
InChIKeyVYRYYNZQBXFICZ-UHFFFAOYSA-N
XLogP3.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.54
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-chloropyrazin-2-amine?
The IUPAC name of N-(4-bromophenyl)-5-chloropyrazin-2-amine (CID 131014354) is N-(4-bromophenyl)-5-chloropyrazin-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-5-chloropyrazin-2-amine?
The canonical SMILES for N-(4-bromophenyl)-5-chloropyrazin-2-amine is Clc1cnc(Nc2ccc(Br)cc2)cn1.
What is the InChIKey of N-(4-bromophenyl)-5-chloropyrazin-2-amine?
The InChIKey is VYRYYNZQBXFICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN3/c11-7-1-3-8(4-2-7)15-10-6-13-9(12)5-14-10/h1-6H,(H,14,15).
What are the key properties of N-(4-bromophenyl)-5-chloropyrazin-2-amine?
N-(4-bromophenyl)-5-chloropyrazin-2-amine has a molecular weight of 284.54 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-chloropyrazin-2-amine is sourced from PubChem (CID 131014354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).