4-(3-bromo-2-hydrazinyl-4-pyridinyl)benzonitrile

C12H9BrN4 — CID 69063074

IUPAC4-(3-bromo-2-hydrazinyl-4-pyridinyl)benzonitrile
SMILESN#Cc1ccc(-c2ccnc(NN)c2Br)cc1
InChIInChI=1S/C12H9BrN4/c13-11-10(5-6-16-12(11)17-15)9-3-1-8(7-14)2-4-9/h1-6H,15H2,(H,16,17)
InChIKeyVVCOXLMAWOOFAO-UHFFFAOYSA-N
MW289.14 g/mol
LogP2.67
Rot. Bonds2

About 4-(3-bromo-2-hydrazinyl-4-pyridinyl)benzonitrile

4-(3-bromo-2-hydrazinyl-4-pyridinyl)benzonitrile (PubChem CID 69063074) has the molecular formula C12H9BrN4 and a molecular weight of 289.14 g/mol. Its IUPAC name is 4-(3-bromo-2-hydrazinyl-4-pyridinyl)benzonitrile.

Molecular Properties

Compound Name4-(3-bromo-2-hydrazinyl-4-pyridinyl)benzonitrile
PubChem CID69063074
Molecular FormulaC12H9BrN4
Molecular Weight289.14 g/mol
Exact Mass288.00
IUPAC Name4-(3-bromo-2-hydrazinyl-4-pyridinyl)benzonitrile
SMILESN#Cc1ccc(-c2ccnc(NN)c2Br)cc1
InChIInChI=1S/C12H9BrN4/c13-11-10(5-6-16-12(11)17-15)9-3-1-8(7-14)2-4-9/h1-6H,15H2,(H,16,17)
InChIKeyVVCOXLMAWOOFAO-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-(3-hydrazinylpyrazin-2-yl)benzonitrile
CID 112559470
4-(3-bromo-2-hydrazinyl-6-methoxy-4-pyridinyl)benzonitrile
CID 139457271
3-bromo-4-phenylpyridine-2-carbonitrile
CID 130138671
4-[(3-bromo-4-methyl-2-pyridinyl)amino]benzonitrile
CID 106876502
4-thieno[2,3-b]pyridin-4-ylbenzonitrile
CID 132554240
4-(3-sulfanyl-4-pyridinyl)benzonitrile
CID 67997061
6-(4-bromophenyl)-2-hydrazinylpyridine-3-carbonitrile
CID 62252649
3-bromo-4-thiophen-3-ylpyridine-2-carbonitrile
CID 130138673
4-pyridin-4-ylbenzonitrile
CID 4184629
4-amino-3,5-bis(4-cyanophenyl)benzonitrile
CID 163197792
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-aminobenzonitrile;4-[4,6-bis(4-aminophenyl)-1,3,5-triazin-2-yl]aniline;[4-[4,6-bis(4-hydrazinylphenyl)-1,3,5-triazin-2-yl]phenyl]hydrazine;4-hydrazinylbenzonitrile
CID 158635272

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2-hydrazinyl-4-pyridinyl)benzonitrile?
The IUPAC name of 4-(3-bromo-2-hydrazinyl-4-pyridinyl)benzonitrile (CID 69063074) is 4-(3-bromo-2-hydrazinyl-4-pyridinyl)benzonitrile.
What is the SMILES notation for 4-(3-bromo-2-hydrazinyl-4-pyridinyl)benzonitrile?
The canonical SMILES for 4-(3-bromo-2-hydrazinyl-4-pyridinyl)benzonitrile is N#Cc1ccc(-c2ccnc(NN)c2Br)cc1.
What is the InChIKey of 4-(3-bromo-2-hydrazinyl-4-pyridinyl)benzonitrile?
The InChIKey is VVCOXLMAWOOFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4/c13-11-10(5-6-16-12(11)17-15)9-3-1-8(7-14)2-4-9/h1-6H,15H2,(H,16,17).
What are the key properties of 4-(3-bromo-2-hydrazinyl-4-pyridinyl)benzonitrile?
4-(3-bromo-2-hydrazinyl-4-pyridinyl)benzonitrile has a molecular weight of 289.14 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2-hydrazinyl-4-pyridinyl)benzonitrile is sourced from PubChem (CID 69063074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).