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

C11H9BrFN3 — CID 115860579

IUPAC(2-bromo-4-fluorophenyl)-pyrazin-2-ylmethanamine
SMILESNC(c1cnccn1)c1ccc(F)cc1Br
InChIInChI=1S/C11H9BrFN3/c12-9-5-7(13)1-2-8(9)11(14)10-6-15-3-4-16-10/h1-6,11H,14H2
InChIKeyMGMGCALGKLWJCQ-UHFFFAOYSA-N
MW282.12 g/mol
LogP2.43
Rot. Bonds2

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

(2-bromo-4-fluorophenyl)-pyrazin-2-ylmethanamine (PubChem CID 115860579) has the molecular formula C11H9BrFN3 and a molecular weight of 282.12 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-pyrazin-2-ylmethanamine.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-pyrazin-2-ylmethanamine
PubChem CID115860579
Molecular FormulaC11H9BrFN3
Molecular Weight282.12 g/mol
Exact Mass281.00
IUPAC Name(2-bromo-4-fluorophenyl)-pyrazin-2-ylmethanamine
SMILESNC(c1cnccn1)c1ccc(F)cc1Br
InChIInChI=1S/C11H9BrFN3/c12-9-5-7(13)1-2-8(9)11(14)10-6-15-3-4-16-10/h1-6,11H,14H2
InChIKeyMGMGCALGKLWJCQ-UHFFFAOYSA-N
XLogP2.43
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromophenyl)-pyrazin-2-ylmethanamine
CID 63970477
(2-bromo-4-fluorophenyl)-pyridin-3-ylmethanamine
CID 115799700
(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethanamine
CID 115860428
(5-bromo-2-methylphenyl)-pyrazin-2-ylmethanamine
CID 115860646
(2-bromo-4-fluorophenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301576
1-(2-bromo-4-fluorophenyl)-2-pyridin-3-ylethanamine
CID 105034708
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 62600046
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine
CID 66517956
1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446521
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171220747
1-(2-bromo-4-fluorophenyl)-2,2,2-trifluoroethanamine
CID 51358639
3-amino-3-(2-bromo-4-fluorophenyl)propan-1-ol
CID 84706428

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-pyrazin-2-ylmethanamine?
The IUPAC name of (2-bromo-4-fluorophenyl)-pyrazin-2-ylmethanamine (CID 115860579) is (2-bromo-4-fluorophenyl)-pyrazin-2-ylmethanamine.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-pyrazin-2-ylmethanamine?
The canonical SMILES for (2-bromo-4-fluorophenyl)-pyrazin-2-ylmethanamine is NC(c1cnccn1)c1ccc(F)cc1Br.
What is the InChIKey of (2-bromo-4-fluorophenyl)-pyrazin-2-ylmethanamine?
The InChIKey is MGMGCALGKLWJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3/c12-9-5-7(13)1-2-8(9)11(14)10-6-15-3-4-16-10/h1-6,11H,14H2.
What are the key properties of (2-bromo-4-fluorophenyl)-pyrazin-2-ylmethanamine?
(2-bromo-4-fluorophenyl)-pyrazin-2-ylmethanamine has a molecular weight of 282.12 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-pyrazin-2-ylmethanamine is sourced from PubChem (CID 115860579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).