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

C15H13BrN4 — CID 103140603

IUPAC[(3-bromo-2-pyridinyl)-isoquinolin-8-ylmethyl]hydrazine
SMILESNNC(c1ncccc1Br)c1cccc2ccncc12
InChIInChI=1S/C15H13BrN4/c16-13-5-2-7-19-15(13)14(20-17)11-4-1-3-10-6-8-18-9-12(10)11/h1-9,14,20H,17H2
InChIKeyFUOMTPCEENQWMG-UHFFFAOYSA-N
MW329.20 g/mol
LogP2.94
Rot. Bonds3

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

[(3-bromo-2-pyridinyl)-isoquinolin-8-ylmethyl]hydrazine (PubChem CID 103140603) has the molecular formula C15H13BrN4 and a molecular weight of 329.20 g/mol. Its IUPAC name is [(3-bromo-2-pyridinyl)-isoquinolin-8-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-2-pyridinyl)-isoquinolin-8-ylmethyl]hydrazine
PubChem CID103140603
Molecular FormulaC15H13BrN4
Molecular Weight329.20 g/mol
Exact Mass328.03
IUPAC Name[(3-bromo-2-pyridinyl)-isoquinolin-8-ylmethyl]hydrazine
SMILESNNC(c1ncccc1Br)c1cccc2ccncc12
InChIInChI=1S/C15H13BrN4/c16-13-5-2-7-19-15(13)14(20-17)11-4-1-3-10-6-8-18-9-12(10)11/h1-9,14,20H,17H2
InChIKeyFUOMTPCEENQWMG-UHFFFAOYSA-N
XLogP2.94
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-fluorophenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 107954360
[(3-bromo-2-pyridinyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105268115
[(4-bromophenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103139727
3-[(3-bromo-2-pyridinyl)-hydrazinylmethyl]pyridin-2-amine
CID 105268078
[(3-bromo-4-fluorophenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103140566
[1H-imidazol-2-yl(isoquinolin-8-yl)methyl]hydrazine
CID 103140456
1-(3-bromo-2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137538
[(3-bromo-2-chlorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303094
4-[hydrazinyl(isoquinolin-8-yl)methyl]-1-methylpyrazol-5-amine
CID 103140237
(2-ethoxy-2-ethyl-1-isoquinolin-8-ylbutyl)hydrazine
CID 103140666
[(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103141724
[(3-bromo-2-pyridinyl)-(3-methylphenyl)methyl]hydrazine
CID 105268060

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-2-pyridinyl)-isoquinolin-8-ylmethyl]hydrazine?
The IUPAC name of [(3-bromo-2-pyridinyl)-isoquinolin-8-ylmethyl]hydrazine (CID 103140603) is [(3-bromo-2-pyridinyl)-isoquinolin-8-ylmethyl]hydrazine.
What is the SMILES notation for [(3-bromo-2-pyridinyl)-isoquinolin-8-ylmethyl]hydrazine?
The canonical SMILES for [(3-bromo-2-pyridinyl)-isoquinolin-8-ylmethyl]hydrazine is NNC(c1ncccc1Br)c1cccc2ccncc12.
What is the InChIKey of [(3-bromo-2-pyridinyl)-isoquinolin-8-ylmethyl]hydrazine?
The InChIKey is FUOMTPCEENQWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4/c16-13-5-2-7-19-15(13)14(20-17)11-4-1-3-10-6-8-18-9-12(10)11/h1-9,14,20H,17H2.
What are the key properties of [(3-bromo-2-pyridinyl)-isoquinolin-8-ylmethyl]hydrazine?
[(3-bromo-2-pyridinyl)-isoquinolin-8-ylmethyl]hydrazine has a molecular weight of 329.20 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-2-pyridinyl)-isoquinolin-8-ylmethyl]hydrazine is sourced from PubChem (CID 103140603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).