bis(2-fluoro-3-pyridinyl)-quinolin-8-yloxyborane

C19H12BF2N3O — CID 102496753

IUPACbis(2-fluoro-3-pyridinyl)-quinolin-8-yloxyborane
SMILESFc1ncccc1B(Oc1cccc2cccnc12)c1cccnc1F
InChIInChI=1S/C19H12BF2N3O/c21-18-14(7-3-11-24-18)20(15-8-4-12-25-19(15)22)26-16-9-1-5-13-6-2-10-23-17(13)16/h1-12H
InChIKeyFRTYYQDHSWNZCM-UHFFFAOYSA-N
MW347.13 g/mol
LogP2.49
Rot. Bonds4

About bis(2-fluoro-3-pyridinyl)-quinolin-8-yloxyborane

bis(2-fluoro-3-pyridinyl)-quinolin-8-yloxyborane (PubChem CID 102496753) has the molecular formula C19H12BF2N3O and a molecular weight of 347.13 g/mol. Its IUPAC name is bis(2-fluoro-3-pyridinyl)-quinolin-8-yloxyborane.

Molecular Properties

Compound Namebis(2-fluoro-3-pyridinyl)-quinolin-8-yloxyborane
PubChem CID102496753
Molecular FormulaC19H12BF2N3O
Molecular Weight347.13 g/mol
Exact Mass347.10
IUPAC Namebis(2-fluoro-3-pyridinyl)-quinolin-8-yloxyborane
SMILESFc1ncccc1B(Oc1cccc2cccnc12)c1cccnc1F
InChIInChI=1S/C19H12BF2N3O/c21-18-14(7-3-11-24-18)20(15-8-4-12-25-19(15)22)26-16-9-1-5-13-6-2-10-23-17(13)16/h1-12H
InChIKeyFRTYYQDHSWNZCM-UHFFFAOYSA-N
XLogP2.49
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.13
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-fluoro-3-pyridinyl)-quinolin-8-yloxyborane?
The IUPAC name of bis(2-fluoro-3-pyridinyl)-quinolin-8-yloxyborane (CID 102496753) is bis(2-fluoro-3-pyridinyl)-quinolin-8-yloxyborane.
What is the SMILES notation for bis(2-fluoro-3-pyridinyl)-quinolin-8-yloxyborane?
The canonical SMILES for bis(2-fluoro-3-pyridinyl)-quinolin-8-yloxyborane is Fc1ncccc1B(Oc1cccc2cccnc12)c1cccnc1F.
What is the InChIKey of bis(2-fluoro-3-pyridinyl)-quinolin-8-yloxyborane?
The InChIKey is FRTYYQDHSWNZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BF2N3O/c21-18-14(7-3-11-24-18)20(15-8-4-12-25-19(15)22)26-16-9-1-5-13-6-2-10-23-17(13)16/h1-12H.
What are the key properties of bis(2-fluoro-3-pyridinyl)-quinolin-8-yloxyborane?
bis(2-fluoro-3-pyridinyl)-quinolin-8-yloxyborane has a molecular weight of 347.13 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-fluoro-3-pyridinyl)-quinolin-8-yloxyborane is sourced from PubChem (CID 102496753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).