2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethanamine

C11H11BrN4 — CID 104801176

IUPAC2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethanamine
SMILESNC(Cc1cncc(Br)c1)c1cnccn1
InChIInChI=1S/C11H11BrN4/c12-9-3-8(5-15-6-9)4-10(13)11-7-14-1-2-16-11/h1-3,5-7,10H,4,13H2
InChIKeyKKTZATHZOHEZKM-UHFFFAOYSA-N
MW279.14 g/mol
LogP1.88
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethanamine

2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethanamine (PubChem CID 104801176) has the molecular formula C11H11BrN4 and a molecular weight of 279.14 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethanamine
PubChem CID104801176
Molecular FormulaC11H11BrN4
Molecular Weight279.14 g/mol
Exact Mass278.02
IUPAC Name2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethanamine
SMILESNC(Cc1cncc(Br)c1)c1cnccn1
InChIInChI=1S/C11H11BrN4/c12-9-3-8(5-15-6-9)4-10(13)11-7-14-1-2-16-11/h1-3,5-7,10H,4,13H2
InChIKeyKKTZATHZOHEZKM-UHFFFAOYSA-N
XLogP1.88
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 104801439
N-[2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethyl]propan-1-amine
CID 104801443
2-(5-bromo-3-pyridinyl)-1-(3-fluoro-4-pyridinyl)ethanamine
CID 113455102
2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105181188
2-(3-chlorophenyl)-1-pyrazin-2-ylethanamine
CID 60818285
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine
CID 104801052
2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105036929
2-(5-bromo-3-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
CID 104803955
2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 115649533
2-(1-methylpyrazol-4-yl)-1-pyrazin-2-ylethanamine
CID 62125921
2-(5-bromo-3-pyridinyl)-1-pyridin-2-ylethanol
CID 104799817
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethanamine
CID 104802830

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethanamine (CID 104801176) is 2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethanamine is NC(Cc1cncc(Br)c1)c1cnccn1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethanamine?
The InChIKey is KKTZATHZOHEZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4/c12-9-3-8(5-15-6-9)4-10(13)11-7-14-1-2-16-11/h1-3,5-7,10H,4,13H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethanamine?
2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethanamine has a molecular weight of 279.14 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethanamine is sourced from PubChem (CID 104801176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).