7-(1-azidoethyl)-5-fluoro-8-(3-fluorophenyl)cinnoline

C16H11F2N5 — CID 58368475

IUPAC7-(1-azidoethyl)-5-fluoro-8-(3-fluorophenyl)cinnoline
SMILESCC(N=[N+]=[N-])c1cc(F)c2ccnnc2c1-c1cccc(F)c1
InChIInChI=1S/C16H11F2N5/c1-9(21-23-19)13-8-14(18)12-5-6-20-22-16(12)15(13)10-3-2-4-11(17)7-10/h2-9H,1H3
InChIKeyYJFFHUGFDHZUIV-UHFFFAOYSA-N
MW311.30 g/mol
LogP4.95
Rot. Bonds3

About 7-(1-azidoethyl)-5-fluoro-8-(3-fluorophenyl)cinnoline

7-(1-azidoethyl)-5-fluoro-8-(3-fluorophenyl)cinnoline (PubChem CID 58368475) has the molecular formula C16H11F2N5 and a molecular weight of 311.30 g/mol. Its IUPAC name is 7-(1-azidoethyl)-5-fluoro-8-(3-fluorophenyl)cinnoline.

Molecular Properties

Compound Name7-(1-azidoethyl)-5-fluoro-8-(3-fluorophenyl)cinnoline
PubChem CID58368475
Molecular FormulaC16H11F2N5
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC Name7-(1-azidoethyl)-5-fluoro-8-(3-fluorophenyl)cinnoline
SMILESCC(N=[N+]=[N-])c1cc(F)c2ccnnc2c1-c1cccc(F)c1
InChIInChI=1S/C16H11F2N5/c1-9(21-23-19)13-8-14(18)12-5-6-20-22-16(12)15(13)10-3-2-4-11(17)7-10/h2-9H,1H3
InChIKeyYJFFHUGFDHZUIV-UHFFFAOYSA-N
XLogP4.95
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 54.95
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-(1-azidoethyl)-5-fluoro-8-(3-fluorophenyl)cinnoline?
The IUPAC name of 7-(1-azidoethyl)-5-fluoro-8-(3-fluorophenyl)cinnoline (CID 58368475) is 7-(1-azidoethyl)-5-fluoro-8-(3-fluorophenyl)cinnoline.
What is the SMILES notation for 7-(1-azidoethyl)-5-fluoro-8-(3-fluorophenyl)cinnoline?
The canonical SMILES for 7-(1-azidoethyl)-5-fluoro-8-(3-fluorophenyl)cinnoline is CC(N=[N+]=[N-])c1cc(F)c2ccnnc2c1-c1cccc(F)c1.
What is the InChIKey of 7-(1-azidoethyl)-5-fluoro-8-(3-fluorophenyl)cinnoline?
The InChIKey is YJFFHUGFDHZUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N5/c1-9(21-23-19)13-8-14(18)12-5-6-20-22-16(12)15(13)10-3-2-4-11(17)7-10/h2-9H,1H3.
What are the key properties of 7-(1-azidoethyl)-5-fluoro-8-(3-fluorophenyl)cinnoline?
7-(1-azidoethyl)-5-fluoro-8-(3-fluorophenyl)cinnoline has a molecular weight of 311.30 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-azidoethyl)-5-fluoro-8-(3-fluorophenyl)cinnoline is sourced from PubChem (CID 58368475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).