[(5-chloro-2-fluorophenyl)-isoquinolin-4-ylmethyl]hydrazine

C16H13ClFN3 — CID 105280102

IUPAC[(5-chloro-2-fluorophenyl)-isoquinolin-4-ylmethyl]hydrazine
SMILESNNC(c1cc(Cl)ccc1F)c1cncc2ccccc12
InChIInChI=1S/C16H13ClFN3/c17-11-5-6-15(18)13(7-11)16(21-19)14-9-20-8-10-3-1-2-4-12(10)14/h1-9,16,21H,19H2
InChIKeyYLJCNAVRZNNKAM-UHFFFAOYSA-N
MW301.75 g/mol
LogP3.58
Rot. Bonds3

About [(5-chloro-2-fluorophenyl)-isoquinolin-4-ylmethyl]hydrazine

[(5-chloro-2-fluorophenyl)-isoquinolin-4-ylmethyl]hydrazine (PubChem CID 105280102) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is [(5-chloro-2-fluorophenyl)-isoquinolin-4-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(5-chloro-2-fluorophenyl)-isoquinolin-4-ylmethyl]hydrazine
PubChem CID105280102
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC Name[(5-chloro-2-fluorophenyl)-isoquinolin-4-ylmethyl]hydrazine
SMILESNNC(c1cc(Cl)ccc1F)c1cncc2ccccc12
InChIInChI=1S/C16H13ClFN3/c17-11-5-6-15(18)13(7-11)16(21-19)14-9-20-8-10-3-1-2-4-12(10)14/h1-9,16,21H,19H2
InChIKeyYLJCNAVRZNNKAM-UHFFFAOYSA-N
XLogP3.58
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 53.58
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

[(2,4-difluorophenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105216594
1-(4-chloro-2-fluorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 63939214
[(2,5-dichlorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303049
[(2,5-dimethylphenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105306387
[(5-bromo-2-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105280719
[(4-bromo-2-methylphenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105306340
[(5-chloro-2-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710441
[(5-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]hydrazine
CID 105280098
[(4-iodophenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105306457
[(2,4-difluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105216661
[(4-chloro-2-fluorophenyl)-quinolin-3-ylmethyl]hydrazine
CID 105217884
[(3-chloro-4-methylthiophen-2-yl)-isoquinolin-4-ylmethyl]hydrazine
CID 103408597

Frequently Asked Questions

What is the IUPAC name of [(5-chloro-2-fluorophenyl)-isoquinolin-4-ylmethyl]hydrazine?
The IUPAC name of [(5-chloro-2-fluorophenyl)-isoquinolin-4-ylmethyl]hydrazine (CID 105280102) is [(5-chloro-2-fluorophenyl)-isoquinolin-4-ylmethyl]hydrazine.
What is the SMILES notation for [(5-chloro-2-fluorophenyl)-isoquinolin-4-ylmethyl]hydrazine?
The canonical SMILES for [(5-chloro-2-fluorophenyl)-isoquinolin-4-ylmethyl]hydrazine is NNC(c1cc(Cl)ccc1F)c1cncc2ccccc12.
What is the InChIKey of [(5-chloro-2-fluorophenyl)-isoquinolin-4-ylmethyl]hydrazine?
The InChIKey is YLJCNAVRZNNKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c17-11-5-6-15(18)13(7-11)16(21-19)14-9-20-8-10-3-1-2-4-12(10)14/h1-9,16,21H,19H2.
What are the key properties of [(5-chloro-2-fluorophenyl)-isoquinolin-4-ylmethyl]hydrazine?
[(5-chloro-2-fluorophenyl)-isoquinolin-4-ylmethyl]hydrazine has a molecular weight of 301.75 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-chloro-2-fluorophenyl)-isoquinolin-4-ylmethyl]hydrazine is sourced from PubChem (CID 105280102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).