2-[(6-amino-2-pyridinyl)amino]-4-bromobenzonitrile

C12H9BrN4 — CID 114002797

IUPAC2-[(6-amino-2-pyridinyl)amino]-4-bromobenzonitrile
SMILESN#Cc1ccc(Br)cc1Nc1cccc(N)n1
InChIInChI=1S/C12H9BrN4/c13-9-5-4-8(7-14)10(6-9)16-12-3-1-2-11(15)17-12/h1-6H,(H3,15,16,17)
InChIKeyAKFWXOSURKBENU-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.04
Rot. Bonds2

About 2-[(6-amino-2-pyridinyl)amino]-4-bromobenzonitrile

2-[(6-amino-2-pyridinyl)amino]-4-bromobenzonitrile (PubChem CID 114002797) has the molecular formula C12H9BrN4 and a molecular weight of 289.14 g/mol. Its IUPAC name is 2-[(6-amino-2-pyridinyl)amino]-4-bromobenzonitrile.

Molecular Properties

Compound Name2-[(6-amino-2-pyridinyl)amino]-4-bromobenzonitrile
PubChem CID114002797
Molecular FormulaC12H9BrN4
Molecular Weight289.14 g/mol
Exact Mass288.00
IUPAC Name2-[(6-amino-2-pyridinyl)amino]-4-bromobenzonitrile
SMILESN#Cc1ccc(Br)cc1Nc1cccc(N)n1
InChIInChI=1S/C12H9BrN4/c13-9-5-4-8(7-14)10(6-9)16-12-3-1-2-11(15)17-12/h1-6H,(H3,15,16,17)
InChIKeyAKFWXOSURKBENU-UHFFFAOYSA-N
XLogP3.04
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(2,5-dibromophenyl)pyridine-2,6-diamine
CID 80652280
4-bromo-2-[(2,6-diaminopyrimidin-4-yl)amino]benzonitrile
CID 107801777
4-bromo-2-[[6-(ethylamino)-2-pyridinyl]amino]benzonitrile
CID 107801742
2-[(2-amino-6-methylpyrimidin-4-yl)amino]-4-bromobenzonitrile
CID 107801787
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-4-bromobenzonitrile
CID 107800073
4-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)amino]benzonitrile
CID 114047759
2-[(4-amino-6-bromopyrimidin-2-yl)amino]-4-bromobenzonitrile
CID 107801678
4-[(6-amino-2-pyridinyl)amino]-3-bromobenzonitrile
CID 114002267
2-[(5-amino-3-pyridinyl)amino]-4-bromobenzonitrile
CID 107801738
4-bromo-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]benzonitrile
CID 107800105
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-bromobenzonitrile
CID 107801715
4-bromo-2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]benzonitrile
CID 107801776

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-pyridinyl)amino]-4-bromobenzonitrile?
The IUPAC name of 2-[(6-amino-2-pyridinyl)amino]-4-bromobenzonitrile (CID 114002797) is 2-[(6-amino-2-pyridinyl)amino]-4-bromobenzonitrile.
What is the SMILES notation for 2-[(6-amino-2-pyridinyl)amino]-4-bromobenzonitrile?
The canonical SMILES for 2-[(6-amino-2-pyridinyl)amino]-4-bromobenzonitrile is N#Cc1ccc(Br)cc1Nc1cccc(N)n1.
What is the InChIKey of 2-[(6-amino-2-pyridinyl)amino]-4-bromobenzonitrile?
The InChIKey is AKFWXOSURKBENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4/c13-9-5-4-8(7-14)10(6-9)16-12-3-1-2-11(15)17-12/h1-6H,(H3,15,16,17).
What are the key properties of 2-[(6-amino-2-pyridinyl)amino]-4-bromobenzonitrile?
2-[(6-amino-2-pyridinyl)amino]-4-bromobenzonitrile has a molecular weight of 289.14 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-pyridinyl)amino]-4-bromobenzonitrile is sourced from PubChem (CID 114002797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).