6-fluorocinnoline

C8H5FN2 — CID 45090418

IUPAC6-fluorocinnoline
SMILESFc1ccc2nnccc2c1
InChIInChI=1S/C8H5FN2/c9-7-1-2-8-6(5-7)3-4-10-11-8/h1-5H
InChIKeyBGNVCGBQOGOPMX-UHFFFAOYSA-N
MW148.14 g/mol
LogP1.77
Rot. Bonds

About 6-fluorocinnoline

6-fluorocinnoline (PubChem CID 45090418) has the molecular formula C8H5FN2 and a molecular weight of 148.14 g/mol. Its IUPAC name is 6-fluorocinnoline.

Molecular Properties

Compound Name6-fluorocinnoline
PubChem CID45090418
Molecular FormulaC8H5FN2
Molecular Weight148.14 g/mol
Exact Mass148.04
IUPAC Name6-fluorocinnoline
SMILESFc1ccc2nnccc2c1
InChIInChI=1S/C8H5FN2/c9-7-1-2-8-6(5-7)3-4-10-11-8/h1-5H
InChIKeyBGNVCGBQOGOPMX-UHFFFAOYSA-N
XLogP1.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluorocinnoline?
The IUPAC name of 6-fluorocinnoline (CID 45090418) is 6-fluorocinnoline.
What is the SMILES notation for 6-fluorocinnoline?
The canonical SMILES for 6-fluorocinnoline is Fc1ccc2nnccc2c1.
What is the InChIKey of 6-fluorocinnoline?
The InChIKey is BGNVCGBQOGOPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2/c9-7-1-2-8-6(5-7)3-4-10-11-8/h1-5H.
What are the key properties of 6-fluorocinnoline?
6-fluorocinnoline has a molecular weight of 148.14 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorocinnoline is sourced from PubChem (CID 45090418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).