3-bromo-5-chloropyrazin-2-amine

C4H3BrClN3 — CID 10488609

IUPAC3-bromo-5-chloropyrazin-2-amine
SMILESNc1ncc(Cl)nc1Br
InChIInChI=1S/C4H3BrClN3/c5-3-4(7)8-1-2(6)9-3/h1H,(H2,7,8)
InChIKeyACFBUXHJONGLLF-UHFFFAOYSA-N
MW208.45 g/mol
LogP1.47
Rot. Bonds

About 3-bromo-5-chloropyrazin-2-amine

3-bromo-5-chloropyrazin-2-amine (PubChem CID 10488609) has the molecular formula C4H3BrClN3 and a molecular weight of 208.45 g/mol. Its IUPAC name is 3-bromo-5-chloropyrazin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloropyrazin-2-amine
PubChem CID10488609
Molecular FormulaC4H3BrClN3
Molecular Weight208.45 g/mol
Exact Mass206.92
IUPAC Name3-bromo-5-chloropyrazin-2-amine
SMILESNc1ncc(Cl)nc1Br
InChIInChI=1S/C4H3BrClN3/c5-3-4(7)8-1-2(6)9-3/h1H,(H2,7,8)
InChIKeyACFBUXHJONGLLF-UHFFFAOYSA-N
XLogP1.47
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.45
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-6-Chloropyrazine
CID 118458
2-Amino-5-bromopyrazine
CID 599539
5-Bromo-3-chloropyrazin-2-amine
CID 46738202
2-Amino-3-chloropyrazine
CID 276224
3,5-Dichloropyrazin-2-amine
CID 11586346
2-Amino-3,5-dibromopyrazine
CID 620004
2-Amino-5-chloropyrazine
CID 12808419
5-Bromo-6-chloropyrazin-2-amine
CID 18180207
5-Bromopyrazine-2,3-diamine
CID 2771857
2-Amino-6-bromopyrazine
CID 12693182
2-Amino-3-bromo-6-chloropyrazine
CID 17955991
3-Chloro-5-iodopyrazin-2-amine
CID 72183195

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloropyrazin-2-amine?
The IUPAC name of 3-bromo-5-chloropyrazin-2-amine (CID 10488609) is 3-bromo-5-chloropyrazin-2-amine.
What is the SMILES notation for 3-bromo-5-chloropyrazin-2-amine?
The canonical SMILES for 3-bromo-5-chloropyrazin-2-amine is Nc1ncc(Cl)nc1Br.
What is the InChIKey of 3-bromo-5-chloropyrazin-2-amine?
The InChIKey is ACFBUXHJONGLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrClN3/c5-3-4(7)8-1-2(6)9-3/h1H,(H2,7,8).
What are the key properties of 3-bromo-5-chloropyrazin-2-amine?
3-bromo-5-chloropyrazin-2-amine has a molecular weight of 208.45 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloropyrazin-2-amine is sourced from PubChem (CID 10488609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).