3-N-(4-bromo-2-chlorophenyl)pyrazine-2,3-diamine

C10H8BrClN4 — CID 102985399

IUPAC3-N-(4-bromo-2-chlorophenyl)pyrazine-2,3-diamine
SMILESNc1nccnc1Nc1ccc(Br)cc1Cl
InChIInChI=1S/C10H8BrClN4/c11-6-1-2-8(7(12)5-6)16-10-9(13)14-3-4-15-10/h1-5H,(H2,13,14)(H,15,16)
InChIKeyWGVBUMQGGXTKQK-UHFFFAOYSA-N
MW299.56 g/mol
LogP3.22
Rot. Bonds2

About 3-N-(4-bromo-2-chlorophenyl)pyrazine-2,3-diamine

3-N-(4-bromo-2-chlorophenyl)pyrazine-2,3-diamine (PubChem CID 102985399) has the molecular formula C10H8BrClN4 and a molecular weight of 299.56 g/mol. Its IUPAC name is 3-N-(4-bromo-2-chlorophenyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-(4-bromo-2-chlorophenyl)pyrazine-2,3-diamine
PubChem CID102985399
Molecular FormulaC10H8BrClN4
Molecular Weight299.56 g/mol
Exact Mass297.96
IUPAC Name3-N-(4-bromo-2-chlorophenyl)pyrazine-2,3-diamine
SMILESNc1nccnc1Nc1ccc(Br)cc1Cl
InChIInChI=1S/C10H8BrClN4/c11-6-1-2-8(7(12)5-6)16-10-9(13)14-3-4-15-10/h1-5H,(H2,13,14)(H,15,16)
InChIKeyWGVBUMQGGXTKQK-UHFFFAOYSA-N
XLogP3.22
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.56
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(4-bromo-2-chlorophenyl)pyridin-2-amine
CID 55219349
2-N-(4-bromo-2-chlorophenyl)-5-methylpyridine-2,3-diamine
CID 66278414
N-(4-bromo-2-chlorophenyl)-6-chloro-5-methylpyrimidin-4-amine
CID 55230638
4-N-(4-bromo-2-chlorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80994019
4-N-(4-bromo-2-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 80772789
4-N-(4-bromo-2-chlorophenyl)pyrimidine-4,6-diamine
CID 80772607
4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine
CID 80772955
N-(5-bromo-2-chlorophenyl)-3-chloropyrazin-2-amine
CID 62910149
N-(4-bromo-2-chlorophenyl)-2-chloropyridin-4-amine
CID 102824004
N-(4-bromo-2-chlorophenyl)-6-chloro-2,5-dimethylpyrimidin-4-amine
CID 63729411
2-N-(4-bromo-2-chlorophenyl)-6-methoxypyridine-2,3-diamine
CID 115320382
1-N-(4-bromo-2-chlorophenyl)-4-methylbenzene-1,2-diamine
CID 43349543

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-bromo-2-chlorophenyl)pyrazine-2,3-diamine?
The IUPAC name of 3-N-(4-bromo-2-chlorophenyl)pyrazine-2,3-diamine (CID 102985399) is 3-N-(4-bromo-2-chlorophenyl)pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-(4-bromo-2-chlorophenyl)pyrazine-2,3-diamine?
The canonical SMILES for 3-N-(4-bromo-2-chlorophenyl)pyrazine-2,3-diamine is Nc1nccnc1Nc1ccc(Br)cc1Cl.
What is the InChIKey of 3-N-(4-bromo-2-chlorophenyl)pyrazine-2,3-diamine?
The InChIKey is WGVBUMQGGXTKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN4/c11-6-1-2-8(7(12)5-6)16-10-9(13)14-3-4-15-10/h1-5H,(H2,13,14)(H,15,16).
What are the key properties of 3-N-(4-bromo-2-chlorophenyl)pyrazine-2,3-diamine?
3-N-(4-bromo-2-chlorophenyl)pyrazine-2,3-diamine has a molecular weight of 299.56 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-bromo-2-chlorophenyl)pyrazine-2,3-diamine is sourced from PubChem (CID 102985399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).