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

C12H8Br2N4 — CID 114002435

IUPAC2-[(3-amino-5-bromo-4-pyridinyl)amino]-4-bromobenzonitrile
SMILESN#Cc1ccc(Br)cc1Nc1c(N)cncc1Br
InChIInChI=1S/C12H8Br2N4/c13-8-2-1-7(4-15)11(3-8)18-12-9(14)5-17-6-10(12)16/h1-3,5-6H,16H2,(H,17,18)
InChIKeyAPVBQKVVIMSWRO-UHFFFAOYSA-N
MW368.03 g/mol
LogP3.80
Rot. Bonds2

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

2-[(3-amino-5-bromo-4-pyridinyl)amino]-4-bromobenzonitrile (PubChem CID 114002435) has the molecular formula C12H8Br2N4 and a molecular weight of 368.03 g/mol. Its IUPAC name is 2-[(3-amino-5-bromo-4-pyridinyl)amino]-4-bromobenzonitrile.

Molecular Properties

Compound Name2-[(3-amino-5-bromo-4-pyridinyl)amino]-4-bromobenzonitrile
PubChem CID114002435
Molecular FormulaC12H8Br2N4
Molecular Weight368.03 g/mol
Exact Mass365.91
IUPAC Name2-[(3-amino-5-bromo-4-pyridinyl)amino]-4-bromobenzonitrile
SMILESN#Cc1ccc(Br)cc1Nc1c(N)cncc1Br
InChIInChI=1S/C12H8Br2N4/c13-8-2-1-7(4-15)11(3-8)18-12-9(14)5-17-6-10(12)16/h1-3,5-6H,16H2,(H,17,18)
InChIKeyAPVBQKVVIMSWRO-UHFFFAOYSA-N
XLogP3.80
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.03
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-(5-bromo-2-iodophenyl)pyridine-3,4-diamine
CID 114258679
2-[(5-amino-3-pyridinyl)amino]-4-bromobenzonitrile
CID 107801738
4-[(3-amino-5-bromo-4-pyridinyl)amino]-3-chlorobenzonitrile
CID 114003347
2-(2-amino-4,5-dichloroanilino)-4-bromobenzonitrile
CID 107797069
4-bromo-2-(2-bromo-4,6-difluoroanilino)benzonitrile
CID 114901411
2-(2-amino-5-bromoanilino)-4-chlorobenzonitrile
CID 65342420
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-4-bromobenzonitrile
CID 107800073
2-[(6-amino-2-pyridinyl)amino]-4-bromobenzonitrile
CID 114002797
4-bromo-2-[(2,6-diaminopyrimidin-4-yl)amino]benzonitrile
CID 107801777
2-[(4-amino-6-bromopyrimidin-2-yl)amino]-4-bromobenzonitrile
CID 107801678
4-bromo-2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 114002825
2-(5-bromo-2-cyanoanilino)-3-methylbenzonitrile
CID 107798558

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-5-bromo-4-pyridinyl)amino]-4-bromobenzonitrile?
The IUPAC name of 2-[(3-amino-5-bromo-4-pyridinyl)amino]-4-bromobenzonitrile (CID 114002435) is 2-[(3-amino-5-bromo-4-pyridinyl)amino]-4-bromobenzonitrile.
What is the SMILES notation for 2-[(3-amino-5-bromo-4-pyridinyl)amino]-4-bromobenzonitrile?
The canonical SMILES for 2-[(3-amino-5-bromo-4-pyridinyl)amino]-4-bromobenzonitrile is N#Cc1ccc(Br)cc1Nc1c(N)cncc1Br.
What is the InChIKey of 2-[(3-amino-5-bromo-4-pyridinyl)amino]-4-bromobenzonitrile?
The InChIKey is APVBQKVVIMSWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N4/c13-8-2-1-7(4-15)11(3-8)18-12-9(14)5-17-6-10(12)16/h1-3,5-6H,16H2,(H,17,18).
What are the key properties of 2-[(3-amino-5-bromo-4-pyridinyl)amino]-4-bromobenzonitrile?
2-[(3-amino-5-bromo-4-pyridinyl)amino]-4-bromobenzonitrile has a molecular weight of 368.03 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-5-bromo-4-pyridinyl)amino]-4-bromobenzonitrile is sourced from PubChem (CID 114002435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).