4-[(6-amino-2-pyridinyl)amino]-3-bromobenzonitrile

C12H9BrN4 — CID 114002267

IUPAC4-[(6-amino-2-pyridinyl)amino]-3-bromobenzonitrile
SMILESN#Cc1ccc(Nc2cccc(N)n2)c(Br)c1
InChIInChI=1S/C12H9BrN4/c13-9-6-8(7-14)4-5-10(9)16-12-3-1-2-11(15)17-12/h1-6H,(H3,15,16,17)
InChIKeyIBNCXGATWOJOCH-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.04
Rot. Bonds2

About 4-[(6-amino-2-pyridinyl)amino]-3-bromobenzonitrile

4-[(6-amino-2-pyridinyl)amino]-3-bromobenzonitrile (PubChem CID 114002267) has the molecular formula C12H9BrN4 and a molecular weight of 289.14 g/mol. Its IUPAC name is 4-[(6-amino-2-pyridinyl)amino]-3-bromobenzonitrile.

Molecular Properties

Compound Name4-[(6-amino-2-pyridinyl)amino]-3-bromobenzonitrile
PubChem CID114002267
Molecular FormulaC12H9BrN4
Molecular Weight289.14 g/mol
Exact Mass288.00
IUPAC Name4-[(6-amino-2-pyridinyl)amino]-3-bromobenzonitrile
SMILESN#Cc1ccc(Nc2cccc(N)n2)c(Br)c1
InChIInChI=1S/C12H9BrN4/c13-9-6-8(7-14)4-5-10(9)16-12-3-1-2-11(15)17-12/h1-6H,(H3,15,16,17)
InChIKeyIBNCXGATWOJOCH-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

2-[(6-amino-2-pyridinyl)amino]-4-bromobenzonitrile
CID 114002797
3-bromo-4-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]benzonitrile
CID 107795536
4-[(5-amino-6-ethoxy-2-pyridinyl)amino]-3-bromobenzonitrile
CID 107787248
4-(3-amino-2-methylanilino)-3-bromobenzonitrile
CID 107787207
4-[(6-bromo-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 107809610
3-bromo-4-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]benzonitrile
CID 107795220
6-N-(2,5-dibromophenyl)pyridine-2,6-diamine
CID 80652280
4-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-bromobenzonitrile
CID 107795143
3-bromo-4-(2,4-dibromoanilino)benzonitrile
CID 82797505
3-bromo-4-[(6-chloropyridazin-3-yl)amino]benzonitrile
CID 107792409
3-bromo-4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]benzonitrile
CID 107795514
4-[(8-aminoquinolin-4-yl)amino]-3-bromobenzonitrile
CID 107787222

Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-2-pyridinyl)amino]-3-bromobenzonitrile?
The IUPAC name of 4-[(6-amino-2-pyridinyl)amino]-3-bromobenzonitrile (CID 114002267) is 4-[(6-amino-2-pyridinyl)amino]-3-bromobenzonitrile.
What is the SMILES notation for 4-[(6-amino-2-pyridinyl)amino]-3-bromobenzonitrile?
The canonical SMILES for 4-[(6-amino-2-pyridinyl)amino]-3-bromobenzonitrile is N#Cc1ccc(Nc2cccc(N)n2)c(Br)c1.
What is the InChIKey of 4-[(6-amino-2-pyridinyl)amino]-3-bromobenzonitrile?
The InChIKey is IBNCXGATWOJOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4/c13-9-6-8(7-14)4-5-10(9)16-12-3-1-2-11(15)17-12/h1-6H,(H3,15,16,17).
What are the key properties of 4-[(6-amino-2-pyridinyl)amino]-3-bromobenzonitrile?
4-[(6-amino-2-pyridinyl)amino]-3-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 4-[(6-amino-2-pyridinyl)amino]-3-bromobenzonitrile is sourced from PubChem (CID 114002267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).