[(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethyl]hydrazine

C17H16FN3 — CID 103141724

IUPAC[(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethyl]hydrazine
SMILESCc1ccc(F)c(C(NN)c2cccc3ccncc23)c1
InChIInChI=1S/C17H16FN3/c1-11-5-6-16(18)14(9-11)17(21-19)13-4-2-3-12-7-8-20-10-15(12)13/h2-10,17,21H,19H2,1H3
InChIKeyARPFCHVCJPVGIP-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.24
Rot. Bonds3

About [(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethyl]hydrazine

[(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethyl]hydrazine (PubChem CID 103141724) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is [(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethyl]hydrazine
PubChem CID103141724
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name[(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethyl]hydrazine
SMILESCc1ccc(F)c(C(NN)c2cccc3ccncc23)c1
InChIInChI=1S/C17H16FN3/c1-11-5-6-16(18)14(9-11)17(21-19)13-4-2-3-12-7-8-20-10-15(12)13/h2-10,17,21H,19H2,1H3
InChIKeyARPFCHVCJPVGIP-UHFFFAOYSA-N
XLogP3.24
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.24
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-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103135921
1-(5-chloro-2-fluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137911
[(3-bromo-4-fluorophenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103140566
[(3-bromo-2-fluorophenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 107954360
[(5-bromo-2-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105280719
[(2-chloro-3-fluorophenyl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105302793
[(2-ethoxyphenyl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105260703
[(4-fluoro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105204150
[(2-fluoro-5-methylphenyl)-pyrimidin-4-ylmethyl]hydrazine
CID 105220915
1-(3-fluoro-5-methylphenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137533
4-[hydrazinyl(isoquinolin-8-yl)methyl]-1-methylpyrazol-5-amine
CID 103140237
[(2,4-difluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105216661

Frequently Asked Questions

What is the IUPAC name of [(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethyl]hydrazine?
The IUPAC name of [(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethyl]hydrazine (CID 103141724) is [(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethyl]hydrazine.
What is the SMILES notation for [(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethyl]hydrazine?
The canonical SMILES for [(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethyl]hydrazine is Cc1ccc(F)c(C(NN)c2cccc3ccncc23)c1.
What is the InChIKey of [(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethyl]hydrazine?
The InChIKey is ARPFCHVCJPVGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-11-5-6-16(18)14(9-11)17(21-19)13-4-2-3-12-7-8-20-10-15(12)13/h2-10,17,21H,19H2,1H3.
What are the key properties of [(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethyl]hydrazine?
[(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethyl]hydrazine has a molecular weight of 281.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethyl]hydrazine is sourced from PubChem (CID 103141724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).