[(5-bromo-2-fluorophenyl)-isoquinolin-1-ylmethyl]hydrazine

C16H13BrFN3 — CID 105220642

IUPAC[(5-bromo-2-fluorophenyl)-isoquinolin-1-ylmethyl]hydrazine
SMILESNNC(c1cc(Br)ccc1F)c1nccc2ccccc12
InChIInChI=1S/C16H13BrFN3/c17-11-5-6-14(18)13(9-11)16(21-19)15-12-4-2-1-3-10(12)7-8-20-15/h1-9,16,21H,19H2
InChIKeyFKBZKCYMVKUFPN-UHFFFAOYSA-N
MW346.20 g/mol
LogP3.69
Rot. Bonds3

About [(5-bromo-2-fluorophenyl)-isoquinolin-1-ylmethyl]hydrazine

[(5-bromo-2-fluorophenyl)-isoquinolin-1-ylmethyl]hydrazine (PubChem CID 105220642) has the molecular formula C16H13BrFN3 and a molecular weight of 346.20 g/mol. Its IUPAC name is [(5-bromo-2-fluorophenyl)-isoquinolin-1-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-2-fluorophenyl)-isoquinolin-1-ylmethyl]hydrazine
PubChem CID105220642
Molecular FormulaC16H13BrFN3
Molecular Weight346.20 g/mol
Exact Mass345.03
IUPAC Name[(5-bromo-2-fluorophenyl)-isoquinolin-1-ylmethyl]hydrazine
SMILESNNC(c1cc(Br)ccc1F)c1nccc2ccccc12
InChIInChI=1S/C16H13BrFN3/c17-11-5-6-14(18)13(9-11)16(21-19)15-12-4-2-1-3-10(12)7-8-20-15/h1-9,16,21H,19H2
InChIKeyFKBZKCYMVKUFPN-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'}

Analyze [(5-bromo-2-fluorophenyl)-isoquinolin-1-ylmethyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(5-bromo-2-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105280719
[(5-bromo-2-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine
CID 105260559
[1-benzofuran-3-yl-(5-bromo-2-fluorophenyl)methyl]hydrazine
CID 105262493
[(5-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]hydrazine
CID 105196222
[isoquinolin-1-yl(thiophen-2-yl)methyl]hydrazine
CID 105220571
[(3-bromo-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105267988
[1-benzothiophen-7-yl-(5-bromo-2-fluorophenyl)methyl]hydrazine
CID 105280614
[(5-bromo-2-fluorophenyl)-(3-bromofuran-2-yl)methyl]hydrazine
CID 105280775
[(5-bromo-2-methylphenyl)-naphthalen-1-ylmethyl]hydrazine
CID 105301219
N-[(5-bromo-2-fluorophenyl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine
CID 82733080
[(5-bromo-2-fluorophenyl)-(4-methylphenyl)methyl]hydrazine
CID 105194403
(5-bromo-2-fluorophenyl)-naphthalen-1-ylmethanol
CID 63894699

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-2-fluorophenyl)-isoquinolin-1-ylmethyl]hydrazine?
The IUPAC name of [(5-bromo-2-fluorophenyl)-isoquinolin-1-ylmethyl]hydrazine (CID 105220642) is [(5-bromo-2-fluorophenyl)-isoquinolin-1-ylmethyl]hydrazine.
What is the SMILES notation for [(5-bromo-2-fluorophenyl)-isoquinolin-1-ylmethyl]hydrazine?
The canonical SMILES for [(5-bromo-2-fluorophenyl)-isoquinolin-1-ylmethyl]hydrazine is NNC(c1cc(Br)ccc1F)c1nccc2ccccc12.
What is the InChIKey of [(5-bromo-2-fluorophenyl)-isoquinolin-1-ylmethyl]hydrazine?
The InChIKey is FKBZKCYMVKUFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3/c17-11-5-6-14(18)13(9-11)16(21-19)15-12-4-2-1-3-10(12)7-8-20-15/h1-9,16,21H,19H2.
What are the key properties of [(5-bromo-2-fluorophenyl)-isoquinolin-1-ylmethyl]hydrazine?
[(5-bromo-2-fluorophenyl)-isoquinolin-1-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-1-ylmethyl]hydrazine is sourced from PubChem (CID 105220642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).