[(2,4-difluorophenyl)-isoquinolin-5-ylmethyl]hydrazine

C16H13F2N3 — CID 105216661

IUPAC[(2,4-difluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
SMILESNNC(c1ccc(F)cc1F)c1cccc2cnccc12
InChIInChI=1S/C16H13F2N3/c17-11-4-5-14(15(18)8-11)16(21-19)13-3-1-2-10-9-20-7-6-12(10)13/h1-9,16,21H,19H2
InChIKeyXFNMYBFTRCXLAO-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.07
Rot. Bonds3

About [(2,4-difluorophenyl)-isoquinolin-5-ylmethyl]hydrazine

[(2,4-difluorophenyl)-isoquinolin-5-ylmethyl]hydrazine (PubChem CID 105216661) has the molecular formula C16H13F2N3 and a molecular weight of 285.30 g/mol. Its IUPAC name is [(2,4-difluorophenyl)-isoquinolin-5-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(2,4-difluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
PubChem CID105216661
Molecular FormulaC16H13F2N3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name[(2,4-difluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
SMILESNNC(c1ccc(F)cc1F)c1cccc2cnccc12
InChIInChI=1S/C16H13F2N3/c17-11-4-5-14(15(18)8-11)16(21-19)13-3-1-2-10-9-20-7-6-12(10)13/h1-9,16,21H,19H2
InChIKeyXFNMYBFTRCXLAO-UHFFFAOYSA-N
XLogP3.07
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.07
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-bromo-4-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303055
[(2,4-difluorophenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105216594
[(5-bromo-2-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105280719
[(2,5-dichlorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303049
[isoquinolin-5-yl-(2-methoxyphenyl)methyl]hydrazine
CID 105191223
[(4-fluoro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105204150
2-(2,4-difluorophenyl)-1-isoquinolin-5-ylethanamine
CID 64560423
[(2-chloro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303099
[(2,4-difluorophenyl)-(3-methoxy-4-pyridinyl)methyl]hydrazine
CID 105303259
[(3-bromo-2-chlorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303094
[(3,5-dibromophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 107979075
[(3,4-dimethylphenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303015

Frequently Asked Questions

What is the IUPAC name of [(2,4-difluorophenyl)-isoquinolin-5-ylmethyl]hydrazine?
The IUPAC name of [(2,4-difluorophenyl)-isoquinolin-5-ylmethyl]hydrazine (CID 105216661) is [(2,4-difluorophenyl)-isoquinolin-5-ylmethyl]hydrazine.
What is the SMILES notation for [(2,4-difluorophenyl)-isoquinolin-5-ylmethyl]hydrazine?
The canonical SMILES for [(2,4-difluorophenyl)-isoquinolin-5-ylmethyl]hydrazine is NNC(c1ccc(F)cc1F)c1cccc2cnccc12.
What is the InChIKey of [(2,4-difluorophenyl)-isoquinolin-5-ylmethyl]hydrazine?
The InChIKey is XFNMYBFTRCXLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3/c17-11-4-5-14(15(18)8-11)16(21-19)13-3-1-2-10-9-20-7-6-12(10)13/h1-9,16,21H,19H2.
What are the key properties of [(2,4-difluorophenyl)-isoquinolin-5-ylmethyl]hydrazine?
[(2,4-difluorophenyl)-isoquinolin-5-ylmethyl]hydrazine has a molecular weight of 285.30 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,4-difluorophenyl)-isoquinolin-5-ylmethyl]hydrazine is sourced from PubChem (CID 105216661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).