3-bromo-4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]benzonitrile

C12H8BrCl2N5 — CID 107795514

IUPAC3-bromo-4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]benzonitrile
SMILESN#Cc1ccc(Nc2nc(NN)c(Cl)cc2Cl)c(Br)c1
InChIInChI=1S/C12H8BrCl2N5/c13-7-3-6(5-16)1-2-10(7)18-11-8(14)4-9(15)12(19-11)20-17/h1-4H,17H2,(H2,18,19,20)
InChIKeyWFTZMVNMLPUVGG-UHFFFAOYSA-N
MW373.04 g/mol
LogP4.05
Rot. Bonds3

About 3-bromo-4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]benzonitrile

3-bromo-4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]benzonitrile (PubChem CID 107795514) has the molecular formula C12H8BrCl2N5 and a molecular weight of 373.04 g/mol. Its IUPAC name is 3-bromo-4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]benzonitrile.

Molecular Properties

Compound Name3-bromo-4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]benzonitrile
PubChem CID107795514
Molecular FormulaC12H8BrCl2N5
Molecular Weight373.04 g/mol
Exact Mass370.93
IUPAC Name3-bromo-4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]benzonitrile
SMILESN#Cc1ccc(Nc2nc(NN)c(Cl)cc2Cl)c(Br)c1
InChIInChI=1S/C12H8BrCl2N5/c13-7-3-6(5-16)1-2-10(7)18-11-8(14)4-9(15)12(19-11)20-17/h1-4H,17H2,(H2,18,19,20)
InChIKeyWFTZMVNMLPUVGG-UHFFFAOYSA-N
XLogP4.05
TPSA86.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.04
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile
CID 107795168
4-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-bromobenzonitrile
CID 107795143
3-bromo-4-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]benzonitrile
CID 107795538
3-bromo-4-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 114002302
4-(2-amino-4,5-dichloroanilino)-3-bromobenzonitrile
CID 107787215
N-(2-bromo-5-methylphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
CID 102762492
4-[(6-amino-2-pyridinyl)amino]-3-bromobenzonitrile
CID 114002267
2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-6-methylbenzonitrile
CID 107802103
4-[(3-amino-5-bromo-2-pyridinyl)amino]-3-bromobenzonitrile
CID 107787260
3-bromo-4-[(2-chloro-7H-purin-6-yl)amino]benzonitrile
CID 107792464
3-bromo-4-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]benzonitrile
CID 107795536
3-bromo-4-(2,4-dibromoanilino)benzonitrile
CID 82797505

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]benzonitrile?
The IUPAC name of 3-bromo-4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]benzonitrile (CID 107795514) is 3-bromo-4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]benzonitrile.
What is the SMILES notation for 3-bromo-4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]benzonitrile?
The canonical SMILES for 3-bromo-4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]benzonitrile is N#Cc1ccc(Nc2nc(NN)c(Cl)cc2Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]benzonitrile?
The InChIKey is WFTZMVNMLPUVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2N5/c13-7-3-6(5-16)1-2-10(7)18-11-8(14)4-9(15)12(19-11)20-17/h1-4H,17H2,(H2,18,19,20).
What are the key properties of 3-bromo-4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]benzonitrile?
3-bromo-4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]benzonitrile has a molecular weight of 373.04 g/mol, XLogP of 4.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]benzonitrile is sourced from PubChem (CID 107795514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).