2-[(5-amino-3-pyridinyl)amino]-4-bromobenzonitrile

C12H9BrN4 — CID 107801738

IUPAC2-[(5-amino-3-pyridinyl)amino]-4-bromobenzonitrile
SMILESN#Cc1ccc(Br)cc1Nc1cncc(N)c1
InChIInChI=1S/C12H9BrN4/c13-9-2-1-8(5-14)12(3-9)17-11-4-10(15)6-16-7-11/h1-4,6-7,17H,15H2
InChIKeyLZCFXYZEVLXHQW-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.04
Rot. Bonds2

About 2-[(5-amino-3-pyridinyl)amino]-4-bromobenzonitrile

2-[(5-amino-3-pyridinyl)amino]-4-bromobenzonitrile (PubChem CID 107801738) has the molecular formula C12H9BrN4 and a molecular weight of 289.14 g/mol. Its IUPAC name is 2-[(5-amino-3-pyridinyl)amino]-4-bromobenzonitrile.

Molecular Properties

Compound Name2-[(5-amino-3-pyridinyl)amino]-4-bromobenzonitrile
PubChem CID107801738
Molecular FormulaC12H9BrN4
Molecular Weight289.14 g/mol
Exact Mass288.00
IUPAC Name2-[(5-amino-3-pyridinyl)amino]-4-bromobenzonitrile
SMILESN#Cc1ccc(Br)cc1Nc1cncc(N)c1
InChIInChI=1S/C12H9BrN4/c13-9-2-1-8(5-14)12(3-9)17-11-4-10(15)6-16-7-11/h1-4,6-7,17H,15H2
InChIKeyLZCFXYZEVLXHQW-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-(3-amino-5-methylanilino)-4-bromobenzonitrile
CID 107797158
2-[(3-amino-5-bromo-4-pyridinyl)amino]-4-bromobenzonitrile
CID 114002435
5-N-(5-bromo-2-methoxyphenyl)pyridine-3,5-diamine
CID 113423853
4-bromo-2-(4-chloroanilino)benzonitrile
CID 114901338
4-[(5-bromo-3-pyridinyl)amino]benzene-1,2-dicarbonitrile
CID 114002030
4-(5-bromo-2-cyanoanilino)benzamide
CID 114901303
2-(3-amino-5-methoxyanilino)-5-bromobenzonitrile
CID 82702337
5-N-(3-bromophenyl)pyridine-3,5-diamine
CID 104532361
5-N-(2-bromophenyl)pyridine-3,5-diamine
CID 104532355
2-[(4-amino-6-bromopyrimidin-2-yl)amino]-4-bromobenzonitrile
CID 107801678
2-[(6-amino-2-pyridinyl)amino]-4-bromobenzonitrile
CID 114002797
4-bromo-2-[(2,6-diaminopyrimidin-4-yl)amino]benzonitrile
CID 107801777

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-pyridinyl)amino]-4-bromobenzonitrile?
The IUPAC name of 2-[(5-amino-3-pyridinyl)amino]-4-bromobenzonitrile (CID 107801738) is 2-[(5-amino-3-pyridinyl)amino]-4-bromobenzonitrile.
What is the SMILES notation for 2-[(5-amino-3-pyridinyl)amino]-4-bromobenzonitrile?
The canonical SMILES for 2-[(5-amino-3-pyridinyl)amino]-4-bromobenzonitrile is N#Cc1ccc(Br)cc1Nc1cncc(N)c1.
What is the InChIKey of 2-[(5-amino-3-pyridinyl)amino]-4-bromobenzonitrile?
The InChIKey is LZCFXYZEVLXHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4/c13-9-2-1-8(5-14)12(3-9)17-11-4-10(15)6-16-7-11/h1-4,6-7,17H,15H2.
What are the key properties of 2-[(5-amino-3-pyridinyl)amino]-4-bromobenzonitrile?
2-[(5-amino-3-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-[(5-amino-3-pyridinyl)amino]-4-bromobenzonitrile is sourced from PubChem (CID 107801738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).