[3-(4-bromobut-1-ynyl)phenyl]hydrazine

C10H11BrN2 — CID 170465742

IUPAC[3-(4-bromobut-1-ynyl)phenyl]hydrazine
SMILESNNc1cccc(C#CCCBr)c1
InChIInChI=1S/C10H11BrN2/c11-7-2-1-4-9-5-3-6-10(8-9)13-12/h3,5-6,8,13H,2,7,12H2
InChIKeyBXQXFVVIAFGPQB-UHFFFAOYSA-N
MW239.12 g/mol
LogP2.11
Rot. Bonds2

About [3-(4-bromobut-1-ynyl)phenyl]hydrazine

[3-(4-bromobut-1-ynyl)phenyl]hydrazine (PubChem CID 170465742) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is [3-(4-bromobut-1-ynyl)phenyl]hydrazine.

Molecular Properties

Compound Name[3-(4-bromobut-1-ynyl)phenyl]hydrazine
PubChem CID170465742
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name[3-(4-bromobut-1-ynyl)phenyl]hydrazine
SMILESNNc1cccc(C#CCCBr)c1
InChIInChI=1S/C10H11BrN2/c11-7-2-1-4-9-5-3-6-10(8-9)13-12/h3,5-6,8,13H,2,7,12H2
InChIKeyBXQXFVVIAFGPQB-UHFFFAOYSA-N
XLogP2.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(4-bromobut-1-ynyl)phenyl]thiourea
CID 170466430
1-(4-bromobut-1-ynyl)-3-(2-phenylethynyl)benzene
CID 170457243
1-(4-bromobut-1-ynyl)-3-methoxybenzene
CID 170465696
3-hydrazinylbenzonitrile chloride
CID 18677448
5-[2-[3-(4-bromobut-1-ynyl)phenyl]ethynyl]-1,2,3-trimethoxybenzene
CID 170457244
N-methyl-3-[4-(methylamino)but-1-ynyl]aniline
CID 170464030
[3-(4-chlorobut-1-ynyl)phenyl]urea
CID 170468092
1-[3-(4-bromobut-1-ynyl)phenyl]cyclopropane-1-carbonitrile
CID 170466840
4-(4-bromobut-1-ynyl)-2-fluoroaniline
CID 170465764
methyl 4-[2-[3-(4-bromobut-1-ynyl)phenyl]ethynyl]-2-methoxybenzoate
CID 170457247
3-[3-(methylamino)phenyl]prop-2-yne-1-thiol
CID 169486262
4-(3-aminophenyl)but-3-yn-1-ol
CID 69436348

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromobut-1-ynyl)phenyl]hydrazine?
The IUPAC name of [3-(4-bromobut-1-ynyl)phenyl]hydrazine (CID 170465742) is [3-(4-bromobut-1-ynyl)phenyl]hydrazine.
What is the SMILES notation for [3-(4-bromobut-1-ynyl)phenyl]hydrazine?
The canonical SMILES for [3-(4-bromobut-1-ynyl)phenyl]hydrazine is NNc1cccc(C#CCCBr)c1.
What is the InChIKey of [3-(4-bromobut-1-ynyl)phenyl]hydrazine?
The InChIKey is BXQXFVVIAFGPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c11-7-2-1-4-9-5-3-6-10(8-9)13-12/h3,5-6,8,13H,2,7,12H2.
What are the key properties of [3-(4-bromobut-1-ynyl)phenyl]hydrazine?
[3-(4-bromobut-1-ynyl)phenyl]hydrazine has a molecular weight of 239.12 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromobut-1-ynyl)phenyl]hydrazine is sourced from PubChem (CID 170465742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).