[(3-bromo-2-fluorophenyl)-isoquinolin-8-ylmethyl]hydrazine

C16H13BrFN3 — CID 107954360

IUPAC[(3-bromo-2-fluorophenyl)-isoquinolin-8-ylmethyl]hydrazine
SMILESNNC(c1cccc(Br)c1F)c1cccc2ccncc12
InChIInChI=1S/C16H13BrFN3/c17-14-6-2-5-12(15(14)18)16(21-19)11-4-1-3-10-7-8-20-9-13(10)11/h1-9,16,21H,19H2
InChIKeyYYROYIKOEKOXOJ-UHFFFAOYSA-N
MW346.20 g/mol
LogP3.69
Rot. Bonds3

About [(3-bromo-2-fluorophenyl)-isoquinolin-8-ylmethyl]hydrazine

[(3-bromo-2-fluorophenyl)-isoquinolin-8-ylmethyl]hydrazine (PubChem CID 107954360) has the molecular formula C16H13BrFN3 and a molecular weight of 346.20 g/mol. Its IUPAC name is [(3-bromo-2-fluorophenyl)-isoquinolin-8-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-2-fluorophenyl)-isoquinolin-8-ylmethyl]hydrazine
PubChem CID107954360
Molecular FormulaC16H13BrFN3
Molecular Weight346.20 g/mol
Exact Mass345.03
IUPAC Name[(3-bromo-2-fluorophenyl)-isoquinolin-8-ylmethyl]hydrazine
SMILESNNC(c1cccc(Br)c1F)c1cccc2ccncc12
InChIInChI=1S/C16H13BrFN3/c17-14-6-2-5-12(15(14)18)16(21-19)11-4-1-3-10-7-8-20-9-13(10)11/h1-9,16,21H,19H2
InChIKeyYYROYIKOEKOXOJ-UHFFFAOYSA-N
XLogP3.69
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-2-pyridinyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103140603
[(3-bromo-4-fluorophenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103140566
[(3-bromo-2-fluorophenyl)-pyridin-4-ylmethyl]hydrazine
CID 106648585
[(4-bromophenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103139727
1-(3-bromo-2-fluorophenyl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 107952904
[(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103141724
[(3-bromo-2-chlorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303094
[(2-bromo-4-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303055
4-[hydrazinyl(isoquinolin-8-yl)methyl]-1-methylpyrazol-5-amine
CID 103140237
[1H-imidazol-2-yl(isoquinolin-8-yl)methyl]hydrazine
CID 103140456
1-(3-bromo-2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137538
N-[(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106646023

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-2-fluorophenyl)-isoquinolin-8-ylmethyl]hydrazine?
The IUPAC name of [(3-bromo-2-fluorophenyl)-isoquinolin-8-ylmethyl]hydrazine (CID 107954360) is [(3-bromo-2-fluorophenyl)-isoquinolin-8-ylmethyl]hydrazine.
What is the SMILES notation for [(3-bromo-2-fluorophenyl)-isoquinolin-8-ylmethyl]hydrazine?
The canonical SMILES for [(3-bromo-2-fluorophenyl)-isoquinolin-8-ylmethyl]hydrazine is NNC(c1cccc(Br)c1F)c1cccc2ccncc12.
What is the InChIKey of [(3-bromo-2-fluorophenyl)-isoquinolin-8-ylmethyl]hydrazine?
The InChIKey is YYROYIKOEKOXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3/c17-14-6-2-5-12(15(14)18)16(21-19)11-4-1-3-10-7-8-20-9-13(10)11/h1-9,16,21H,19H2.
What are the key properties of [(3-bromo-2-fluorophenyl)-isoquinolin-8-ylmethyl]hydrazine?
[(3-bromo-2-fluorophenyl)-isoquinolin-8-ylmethyl]hydrazine has a molecular weight of 346.20 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-2-fluorophenyl)-isoquinolin-8-ylmethyl]hydrazine is sourced from PubChem (CID 107954360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).