7-(azidomethyl)-5-chloro-8-(3-fluorophenyl)cinnoline

C15H9ClFN5 — CID 58368543

IUPAC7-(azidomethyl)-5-chloro-8-(3-fluorophenyl)cinnoline
SMILES[N-]=[N+]=NCc1cc(Cl)c2ccnnc2c1-c1cccc(F)c1
InChIInChI=1S/C15H9ClFN5/c16-13-7-10(8-20-22-18)14(9-2-1-3-11(17)6-9)15-12(13)4-5-19-21-15/h1-7H,8H2
InChIKeyUTQGENSFUHWBCH-UHFFFAOYSA-N
MW313.72 g/mol
LogP4.90
Rot. Bonds3

About 7-(azidomethyl)-5-chloro-8-(3-fluorophenyl)cinnoline

7-(azidomethyl)-5-chloro-8-(3-fluorophenyl)cinnoline (PubChem CID 58368543) has the molecular formula C15H9ClFN5 and a molecular weight of 313.72 g/mol. Its IUPAC name is 7-(azidomethyl)-5-chloro-8-(3-fluorophenyl)cinnoline.

Molecular Properties

Compound Name7-(azidomethyl)-5-chloro-8-(3-fluorophenyl)cinnoline
PubChem CID58368543
Molecular FormulaC15H9ClFN5
Molecular Weight313.72 g/mol
Exact Mass313.05
IUPAC Name7-(azidomethyl)-5-chloro-8-(3-fluorophenyl)cinnoline
SMILES[N-]=[N+]=NCc1cc(Cl)c2ccnnc2c1-c1cccc(F)c1
InChIInChI=1S/C15H9ClFN5/c16-13-7-10(8-20-22-18)14(9-2-1-3-11(17)6-9)15-12(13)4-5-19-21-15/h1-7H,8H2
InChIKeyUTQGENSFUHWBCH-UHFFFAOYSA-N
XLogP4.90
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.72
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(azidomethyl)-5-chloro-8-(3-fluorophenyl)cinnoline?
The IUPAC name of 7-(azidomethyl)-5-chloro-8-(3-fluorophenyl)cinnoline (CID 58368543) is 7-(azidomethyl)-5-chloro-8-(3-fluorophenyl)cinnoline.
What is the SMILES notation for 7-(azidomethyl)-5-chloro-8-(3-fluorophenyl)cinnoline?
The canonical SMILES for 7-(azidomethyl)-5-chloro-8-(3-fluorophenyl)cinnoline is [N-]=[N+]=NCc1cc(Cl)c2ccnnc2c1-c1cccc(F)c1.
What is the InChIKey of 7-(azidomethyl)-5-chloro-8-(3-fluorophenyl)cinnoline?
The InChIKey is UTQGENSFUHWBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN5/c16-13-7-10(8-20-22-18)14(9-2-1-3-11(17)6-9)15-12(13)4-5-19-21-15/h1-7H,8H2.
What are the key properties of 7-(azidomethyl)-5-chloro-8-(3-fluorophenyl)cinnoline?
7-(azidomethyl)-5-chloro-8-(3-fluorophenyl)cinnoline has a molecular weight of 313.72 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(azidomethyl)-5-chloro-8-(3-fluorophenyl)cinnoline is sourced from PubChem (CID 58368543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).