3-bromo-5-pyridin-3-ylpyrazin-2-amine

C9H7BrN4 — CID 139409463

IUPAC3-bromo-5-pyridin-3-ylpyrazin-2-amine
SMILESNc1ncc(-c2cccnc2)nc1Br
InChIInChI=1S/C9H7BrN4/c10-8-9(11)13-5-7(14-8)6-2-1-3-12-4-6/h1-5H,(H2,11,13)
InChIKeyALAZBPZBTHVSPE-UHFFFAOYSA-N
MW251.09 g/mol
LogP1.88
Rot. Bonds1

About 3-bromo-5-pyridin-3-ylpyrazin-2-amine

3-bromo-5-pyridin-3-ylpyrazin-2-amine (PubChem CID 139409463) has the molecular formula C9H7BrN4 and a molecular weight of 251.09 g/mol. Its IUPAC name is 3-bromo-5-pyridin-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-bromo-5-pyridin-3-ylpyrazin-2-amine
PubChem CID139409463
Molecular FormulaC9H7BrN4
Molecular Weight251.09 g/mol
Exact Mass249.99
IUPAC Name3-bromo-5-pyridin-3-ylpyrazin-2-amine
SMILESNc1ncc(-c2cccnc2)nc1Br
InChIInChI=1S/C9H7BrN4/c10-8-9(11)13-5-7(14-8)6-2-1-3-12-4-6/h1-5H,(H2,11,13)
InChIKeyALAZBPZBTHVSPE-UHFFFAOYSA-N
XLogP1.88
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.09
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-pyridin-3-ylpyrimidin-4-amine
CID 66302850
5-bromo-3-pyridin-3-ylpyridin-2-amine
CID 119084821
2-bromo-3-ethyl-6-pyridin-3-ylpyridine
CID 175213235
3-bromo-5-(4-cyclopropylphenyl)pyrazin-2-amine
CID 141342852
2,6-dipyridin-3-ylpyridine
CID 13349632
3-bromo-5-(4-phenylmethoxyphenyl)pyrazin-2-amine
CID 155906636
5-pyridin-3-ylpyrimidine-2,4-diamine
CID 118493821
6-pyridin-3-ylpyrimidine-2,4-diamine
CID 90189944
3-[3-(3-aminophenyl)-1H-1,2,4-triazol-5-yl]-5-pyridin-3-ylpyrazin-2-amine;molecular hydrogen
CID 161413164
tetrakis(6-pyridin-3-ylpyrazin-2-yl)silane
CID 71124249
2-chloro-5-pyridin-3-ylpyrazine
CID 130802155
5-(2-pyridin-3-yl-4-pyridinyl)pyrazin-2-amine
CID 174562607

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-pyridin-3-ylpyrazin-2-amine?
The IUPAC name of 3-bromo-5-pyridin-3-ylpyrazin-2-amine (CID 139409463) is 3-bromo-5-pyridin-3-ylpyrazin-2-amine.
What is the SMILES notation for 3-bromo-5-pyridin-3-ylpyrazin-2-amine?
The canonical SMILES for 3-bromo-5-pyridin-3-ylpyrazin-2-amine is Nc1ncc(-c2cccnc2)nc1Br.
What is the InChIKey of 3-bromo-5-pyridin-3-ylpyrazin-2-amine?
The InChIKey is ALAZBPZBTHVSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4/c10-8-9(11)13-5-7(14-8)6-2-1-3-12-4-6/h1-5H,(H2,11,13).
What are the key properties of 3-bromo-5-pyridin-3-ylpyrazin-2-amine?
3-bromo-5-pyridin-3-ylpyrazin-2-amine has a molecular weight of 251.09 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-pyridin-3-ylpyrazin-2-amine is sourced from PubChem (CID 139409463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).