3-(aminodiazenyl)-7-(6-fluoro-4-methyl-3-pyridinyl)-2,3-dihydroisoquinoline

C15H14FN5 — CID 129169813

IUPAC3-(aminodiazenyl)-7-(6-fluoro-4-methyl-3-pyridinyl)-2,3-dihydroisoquinoline
SMILESCc1cc(F)ncc1-c1ccc2c(c1)=CNC(N=NN)C=2
InChIInChI=1S/C15H14FN5/c1-9-4-14(16)18-8-13(9)11-3-2-10-6-15(20-21-17)19-7-12(10)5-11/h2-8,15,19H,1H3,(H2,17,20)
InChIKeyGCUHOTHAXFWKJL-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.97
Rot. Bonds2

About 3-(aminodiazenyl)-7-(6-fluoro-4-methyl-3-pyridinyl)-2,3-dihydroisoquinoline

3-(aminodiazenyl)-7-(6-fluoro-4-methyl-3-pyridinyl)-2,3-dihydroisoquinoline (PubChem CID 129169813) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is 3-(aminodiazenyl)-7-(6-fluoro-4-methyl-3-pyridinyl)-2,3-dihydroisoquinoline.

Molecular Properties

Compound Name3-(aminodiazenyl)-7-(6-fluoro-4-methyl-3-pyridinyl)-2,3-dihydroisoquinoline
PubChem CID129169813
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC Name3-(aminodiazenyl)-7-(6-fluoro-4-methyl-3-pyridinyl)-2,3-dihydroisoquinoline
SMILESCc1cc(F)ncc1-c1ccc2c(c1)=CNC(N=NN)C=2
InChIInChI=1S/C15H14FN5/c1-9-4-14(16)18-8-13(9)11-3-2-10-6-15(20-21-17)19-7-12(10)5-11/h2-8,15,19H,1H3,(H2,17,20)
InChIKeyGCUHOTHAXFWKJL-UHFFFAOYSA-N
XLogP0.97
TPSA75.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(aminodiazenyl)-7-(6-fluoro-4-methyl-3-pyridinyl)-2,3-dihydroisoquinoline?
The IUPAC name of 3-(aminodiazenyl)-7-(6-fluoro-4-methyl-3-pyridinyl)-2,3-dihydroisoquinoline (CID 129169813) is 3-(aminodiazenyl)-7-(6-fluoro-4-methyl-3-pyridinyl)-2,3-dihydroisoquinoline.
What is the SMILES notation for 3-(aminodiazenyl)-7-(6-fluoro-4-methyl-3-pyridinyl)-2,3-dihydroisoquinoline?
The canonical SMILES for 3-(aminodiazenyl)-7-(6-fluoro-4-methyl-3-pyridinyl)-2,3-dihydroisoquinoline is Cc1cc(F)ncc1-c1ccc2c(c1)=CNC(N=NN)C=2.
What is the InChIKey of 3-(aminodiazenyl)-7-(6-fluoro-4-methyl-3-pyridinyl)-2,3-dihydroisoquinoline?
The InChIKey is GCUHOTHAXFWKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c1-9-4-14(16)18-8-13(9)11-3-2-10-6-15(20-21-17)19-7-12(10)5-11/h2-8,15,19H,1H3,(H2,17,20).
What are the key properties of 3-(aminodiazenyl)-7-(6-fluoro-4-methyl-3-pyridinyl)-2,3-dihydroisoquinoline?
3-(aminodiazenyl)-7-(6-fluoro-4-methyl-3-pyridinyl)-2,3-dihydroisoquinoline has a molecular weight of 283.31 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminodiazenyl)-7-(6-fluoro-4-methyl-3-pyridinyl)-2,3-dihydroisoquinoline is sourced from PubChem (CID 129169813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).