4-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)amino]benzonitrile

C13H9Br2N3 — CID 114047759

IUPAC4-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)amino]benzonitrile
SMILESCc1nc(Nc2cc(Br)ccc2C#N)ccc1Br
InChIInChI=1S/C13H9Br2N3/c1-8-11(15)4-5-13(17-8)18-12-6-10(14)3-2-9(12)7-16/h2-6H,1H3,(H,17,18)
InChIKeyKGGBZMNNHKSYMB-UHFFFAOYSA-N
MW367.04 g/mol
LogP4.53
Rot. Bonds2

About 4-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)amino]benzonitrile

4-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)amino]benzonitrile (PubChem CID 114047759) has the molecular formula C13H9Br2N3 and a molecular weight of 367.04 g/mol. Its IUPAC name is 4-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)amino]benzonitrile.

Molecular Properties

Compound Name4-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)amino]benzonitrile
PubChem CID114047759
Molecular FormulaC13H9Br2N3
Molecular Weight367.04 g/mol
Exact Mass364.92
IUPAC Name4-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)amino]benzonitrile
SMILESCc1nc(Nc2cc(Br)ccc2C#N)ccc1Br
InChIInChI=1S/C13H9Br2N3/c1-8-11(15)4-5-13(17-8)18-12-6-10(14)3-2-9(12)7-16/h2-6H,1H3,(H,17,18)
InChIKeyKGGBZMNNHKSYMB-UHFFFAOYSA-N
XLogP4.53
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.04
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]benzonitrile
CID 107800105
2-[(2-amino-6-methylpyrimidin-4-yl)amino]-4-bromobenzonitrile
CID 107801787
2-[(6-amino-2-pyridinyl)amino]-4-bromobenzonitrile
CID 114002797
4-bromo-2-[[6-(ethylamino)-2-pyridinyl]amino]benzonitrile
CID 107801742
4-bromo-2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 107801773
4-bromo-2-[(2,6-diaminopyrimidin-4-yl)amino]benzonitrile
CID 107801777
4-bromo-2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]benzonitrile
CID 107801776
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-4-bromobenzonitrile
CID 107800073
4-bromo-2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]benzonitrile
CID 107801716
4-bromo-2-(methylamino)benzonitrile
CID 24903089
4-bromo-2-(4-bromo-5-fluoro-2-methylanilino)benzonitrile
CID 114902260
4-bromo-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]benzonitrile
CID 107801750

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)amino]benzonitrile?
The IUPAC name of 4-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)amino]benzonitrile (CID 114047759) is 4-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)amino]benzonitrile.
What is the SMILES notation for 4-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)amino]benzonitrile?
The canonical SMILES for 4-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)amino]benzonitrile is Cc1nc(Nc2cc(Br)ccc2C#N)ccc1Br.
What is the InChIKey of 4-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)amino]benzonitrile?
The InChIKey is KGGBZMNNHKSYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2N3/c1-8-11(15)4-5-13(17-8)18-12-6-10(14)3-2-9(12)7-16/h2-6H,1H3,(H,17,18).
What are the key properties of 4-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)amino]benzonitrile?
4-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)amino]benzonitrile has a molecular weight of 367.04 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)amino]benzonitrile is sourced from PubChem (CID 114047759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).