[(3-bromo-2-chlorophenyl)-isoquinolin-5-ylmethyl]hydrazine

C16H13BrClN3 — CID 105303094

IUPAC[(3-bromo-2-chlorophenyl)-isoquinolin-5-ylmethyl]hydrazine
SMILESNNC(c1cccc(Br)c1Cl)c1cccc2cnccc12
InChIInChI=1S/C16H13BrClN3/c17-14-6-2-5-13(15(14)18)16(21-19)12-4-1-3-10-9-20-8-7-11(10)12/h1-9,16,21H,19H2
InChIKeyYDJFZHNQHWZVKS-UHFFFAOYSA-N
MW362.66 g/mol
LogP4.20
Rot. Bonds3

About [(3-bromo-2-chlorophenyl)-isoquinolin-5-ylmethyl]hydrazine

[(3-bromo-2-chlorophenyl)-isoquinolin-5-ylmethyl]hydrazine (PubChem CID 105303094) has the molecular formula C16H13BrClN3 and a molecular weight of 362.66 g/mol. Its IUPAC name is [(3-bromo-2-chlorophenyl)-isoquinolin-5-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-2-chlorophenyl)-isoquinolin-5-ylmethyl]hydrazine
PubChem CID105303094
Molecular FormulaC16H13BrClN3
Molecular Weight362.66 g/mol
Exact Mass361.00
IUPAC Name[(3-bromo-2-chlorophenyl)-isoquinolin-5-ylmethyl]hydrazine
SMILESNNC(c1cccc(Br)c1Cl)c1cccc2cnccc12
InChIInChI=1S/C16H13BrClN3/c17-14-6-2-5-13(15(14)18)16(21-19)12-4-1-3-10-9-20-8-7-11(10)12/h1-9,16,21H,19H2
InChIKeyYDJFZHNQHWZVKS-UHFFFAOYSA-N
XLogP4.20
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.66
LogP ≤ 54.20
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-chloro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303099
[(2-bromo-4-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303055
[isoquinolin-5-yl-(2-methoxyphenyl)methyl]hydrazine
CID 105191223
[(2,5-dichlorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303049
[(3,5-dibromophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 107979075
[(3-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105308722
1-(3-bromo-2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137538
[(2,4-difluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105216661
[(5-bromo-2-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105280719
[(2-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105335384
[(3-bromo-2-fluorophenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 107954360
[(3-bromo-2-chlorophenyl)-(2-methoxyphenyl)methyl]hydrazine
CID 105285757

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-2-chlorophenyl)-isoquinolin-5-ylmethyl]hydrazine?
The IUPAC name of [(3-bromo-2-chlorophenyl)-isoquinolin-5-ylmethyl]hydrazine (CID 105303094) is [(3-bromo-2-chlorophenyl)-isoquinolin-5-ylmethyl]hydrazine.
What is the SMILES notation for [(3-bromo-2-chlorophenyl)-isoquinolin-5-ylmethyl]hydrazine?
The canonical SMILES for [(3-bromo-2-chlorophenyl)-isoquinolin-5-ylmethyl]hydrazine is NNC(c1cccc(Br)c1Cl)c1cccc2cnccc12.
What is the InChIKey of [(3-bromo-2-chlorophenyl)-isoquinolin-5-ylmethyl]hydrazine?
The InChIKey is YDJFZHNQHWZVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3/c17-14-6-2-5-13(15(14)18)16(21-19)12-4-1-3-10-9-20-8-7-11(10)12/h1-9,16,21H,19H2.
What are the key properties of [(3-bromo-2-chlorophenyl)-isoquinolin-5-ylmethyl]hydrazine?
[(3-bromo-2-chlorophenyl)-isoquinolin-5-ylmethyl]hydrazine has a molecular weight of 362.66 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-2-chlorophenyl)-isoquinolin-5-ylmethyl]hydrazine is sourced from PubChem (CID 105303094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).