(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethanamine

C11H9BrClN3 — CID 115860428

IUPAC(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethanamine
SMILESNC(c1cnccn1)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H9BrClN3/c12-7-1-2-8(9(13)5-7)11(14)10-6-15-3-4-16-10/h1-6,11H,14H2
InChIKeyZOMGYFDRCIWSFW-UHFFFAOYSA-N
MW298.57 g/mol
LogP2.94
Rot. Bonds2

About (4-bromo-2-chlorophenyl)-pyrazin-2-ylmethanamine

(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethanamine (PubChem CID 115860428) has the molecular formula C11H9BrClN3 and a molecular weight of 298.57 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-pyrazin-2-ylmethanamine.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethanamine
PubChem CID115860428
Molecular FormulaC11H9BrClN3
Molecular Weight298.57 g/mol
Exact Mass296.97
IUPAC Name(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethanamine
SMILESNC(c1cnccn1)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H9BrClN3/c12-7-1-2-8(9(13)5-7)11(14)10-6-15-3-4-16-10/h1-6,11H,14H2
InChIKeyZOMGYFDRCIWSFW-UHFFFAOYSA-N
XLogP2.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.57
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-methylphenyl)-pyrazin-2-ylmethanamine
CID 115860646
N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860283
N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860282
(2-bromo-4-fluorophenyl)-pyrazin-2-ylmethanamine
CID 115860579
(2-bromophenyl)-pyrazin-2-ylmethanamine
CID 63970477
(4-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanamine
CID 115853064
(4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine
CID 43805136
(3-bromo-2-methylphenyl)-pyrazin-2-ylmethanamine
CID 115860529
(3-chloro-4-methylphenyl)-pyrazin-2-ylmethanamine
CID 115860386
(2-chloro-4-methylphenyl)-pyrazin-2-ylmethanol
CID 106859248
(2,4-dichlorophenyl)-pyrazin-2-ylmethanol
CID 63970677
[4-bromo-2-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanol
CID 63968386

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-pyrazin-2-ylmethanamine?
The IUPAC name of (4-bromo-2-chlorophenyl)-pyrazin-2-ylmethanamine (CID 115860428) is (4-bromo-2-chlorophenyl)-pyrazin-2-ylmethanamine.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-pyrazin-2-ylmethanamine?
The canonical SMILES for (4-bromo-2-chlorophenyl)-pyrazin-2-ylmethanamine is NC(c1cnccn1)c1ccc(Br)cc1Cl.
What is the InChIKey of (4-bromo-2-chlorophenyl)-pyrazin-2-ylmethanamine?
The InChIKey is ZOMGYFDRCIWSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3/c12-7-1-2-8(9(13)5-7)11(14)10-6-15-3-4-16-10/h1-6,11H,14H2.
What are the key properties of (4-bromo-2-chlorophenyl)-pyrazin-2-ylmethanamine?
(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethanamine has a molecular weight of 298.57 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-pyrazin-2-ylmethanamine is sourced from PubChem (CID 115860428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).