[(5-bromo-2-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine

C16H13BrFN3 — CID 105280719

IUPAC[(5-bromo-2-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
SMILESNNC(c1cc(Br)ccc1F)c1cccc2cnccc12
InChIInChI=1S/C16H13BrFN3/c17-11-4-5-15(18)14(8-11)16(21-19)13-3-1-2-10-9-20-7-6-12(10)13/h1-9,16,21H,19H2
InChIKeyBTPFBHYDDYARPE-UHFFFAOYSA-N
MW346.20 g/mol
LogP3.69
Rot. Bonds3

About [(5-bromo-2-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine

[(5-bromo-2-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine (PubChem CID 105280719) has the molecular formula C16H13BrFN3 and a molecular weight of 346.20 g/mol. Its IUPAC name is [(5-bromo-2-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-2-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
PubChem CID105280719
Molecular FormulaC16H13BrFN3
Molecular Weight346.20 g/mol
Exact Mass345.03
IUPAC Name[(5-bromo-2-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
SMILESNNC(c1cc(Br)ccc1F)c1cccc2cnccc12
InChIInChI=1S/C16H13BrFN3/c17-11-4-5-15(18)14(8-11)16(21-19)13-3-1-2-10-9-20-7-6-12(10)13/h1-9,16,21H,19H2
InChIKeyBTPFBHYDDYARPE-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

1-(5-bromo-2-fluorophenyl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 114894681
[(2,4-difluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105216661
[(2-bromo-4-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303055
[(3,5-dibromophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 107979075
[(4-fluoro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105204150
[(2,5-dichlorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303049
[(5-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]hydrazine
CID 105196222
[(3-bromo-2-chlorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303094
[(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103141724
[1-benzothiophen-7-yl-(5-bromo-2-fluorophenyl)methyl]hydrazine
CID 105280614
[(5-chloro-2-fluorophenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105280102
[(5-bromo-2-fluorophenyl)-isoquinolin-1-ylmethyl]hydrazine
CID 105220642

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-2-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine?
The IUPAC name of [(5-bromo-2-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine (CID 105280719) is [(5-bromo-2-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine.
What is the SMILES notation for [(5-bromo-2-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine?
The canonical SMILES for [(5-bromo-2-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine is NNC(c1cc(Br)ccc1F)c1cccc2cnccc12.
What is the InChIKey of [(5-bromo-2-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine?
The InChIKey is BTPFBHYDDYARPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3/c17-11-4-5-15(18)14(8-11)16(21-19)13-3-1-2-10-9-20-7-6-12(10)13/h1-9,16,21H,19H2.
What are the key properties of [(5-bromo-2-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine?
[(5-bromo-2-fluorophenyl)-isoquinolin-5-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 [(5-bromo-2-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine is sourced from PubChem (CID 105280719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).