(2-fluoro-3-pyridinyl)-quinolin-8-yloxy-thiophen-2-ylborane

C18H12BFN2OS — CID 102496748

IUPAC(2-fluoro-3-pyridinyl)-quinolin-8-yloxy-thiophen-2-ylborane
SMILESFc1ncccc1B(Oc1cccc2cccnc12)c1cccs1
InChIInChI=1S/C18H12BFN2OS/c20-18-14(7-3-11-22-18)19(16-9-4-12-24-16)23-15-8-1-5-13-6-2-10-21-17(13)15/h1-12H
InChIKeyCDCJCEGUZOMJGH-UHFFFAOYSA-N
MW334.18 g/mol
LogP3.02
Rot. Bonds4

About (2-fluoro-3-pyridinyl)-quinolin-8-yloxy-thiophen-2-ylborane

(2-fluoro-3-pyridinyl)-quinolin-8-yloxy-thiophen-2-ylborane (PubChem CID 102496748) has the molecular formula C18H12BFN2OS and a molecular weight of 334.18 g/mol. Its IUPAC name is (2-fluoro-3-pyridinyl)-quinolin-8-yloxy-thiophen-2-ylborane.

Molecular Properties

Compound Name(2-fluoro-3-pyridinyl)-quinolin-8-yloxy-thiophen-2-ylborane
PubChem CID102496748
Molecular FormulaC18H12BFN2OS
Molecular Weight334.18 g/mol
Exact Mass334.07
IUPAC Name(2-fluoro-3-pyridinyl)-quinolin-8-yloxy-thiophen-2-ylborane
SMILESFc1ncccc1B(Oc1cccc2cccnc12)c1cccs1
InChIInChI=1S/C18H12BFN2OS/c20-18-14(7-3-11-22-18)19(16-9-4-12-24-16)23-15-8-1-5-13-6-2-10-21-17(13)15/h1-12H
InChIKeyCDCJCEGUZOMJGH-UHFFFAOYSA-N
XLogP3.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.18
LogP ≤ 53.02
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 (2-fluoro-3-pyridinyl)-quinolin-8-yloxy-thiophen-2-ylborane?
The IUPAC name of (2-fluoro-3-pyridinyl)-quinolin-8-yloxy-thiophen-2-ylborane (CID 102496748) is (2-fluoro-3-pyridinyl)-quinolin-8-yloxy-thiophen-2-ylborane.
What is the SMILES notation for (2-fluoro-3-pyridinyl)-quinolin-8-yloxy-thiophen-2-ylborane?
The canonical SMILES for (2-fluoro-3-pyridinyl)-quinolin-8-yloxy-thiophen-2-ylborane is Fc1ncccc1B(Oc1cccc2cccnc12)c1cccs1.
What is the InChIKey of (2-fluoro-3-pyridinyl)-quinolin-8-yloxy-thiophen-2-ylborane?
The InChIKey is CDCJCEGUZOMJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BFN2OS/c20-18-14(7-3-11-22-18)19(16-9-4-12-24-16)23-15-8-1-5-13-6-2-10-21-17(13)15/h1-12H.
What are the key properties of (2-fluoro-3-pyridinyl)-quinolin-8-yloxy-thiophen-2-ylborane?
(2-fluoro-3-pyridinyl)-quinolin-8-yloxy-thiophen-2-ylborane has a molecular weight of 334.18 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-pyridinyl)-quinolin-8-yloxy-thiophen-2-ylborane is sourced from PubChem (CID 102496748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).