2-(6-fluoro-7-isocyanodibenzofuran-4-yl)pyridine

C18H9FN2O — CID 154616033

IUPAC2-(6-fluoro-7-isocyanodibenzofuran-4-yl)pyridine
SMILES[C-]#[N+]c1ccc2c(oc3c(-c4ccccn4)cccc32)c1F
InChIInChI=1S/C18H9FN2O/c1-20-15-9-8-12-11-5-4-6-13(14-7-2-3-10-21-14)17(11)22-18(12)16(15)19/h2-10H
InChIKeyHDKOFLVUWAFZNE-UHFFFAOYSA-N
MW288.28 g/mol
LogP5.34
Rot. Bonds1

About 2-(6-fluoro-7-isocyanodibenzofuran-4-yl)pyridine

2-(6-fluoro-7-isocyanodibenzofuran-4-yl)pyridine (PubChem CID 154616033) has the molecular formula C18H9FN2O and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-(6-fluoro-7-isocyanodibenzofuran-4-yl)pyridine.

Molecular Properties

Compound Name2-(6-fluoro-7-isocyanodibenzofuran-4-yl)pyridine
PubChem CID154616033
Molecular FormulaC18H9FN2O
Molecular Weight288.28 g/mol
Exact Mass288.07
IUPAC Name2-(6-fluoro-7-isocyanodibenzofuran-4-yl)pyridine
SMILES[C-]#[N+]c1ccc2c(oc3c(-c4ccccn4)cccc32)c1F
InChIInChI=1S/C18H9FN2O/c1-20-15-9-8-12-11-5-4-6-13(14-7-2-3-10-21-14)17(11)22-18(12)16(15)19/h2-10H
InChIKeyHDKOFLVUWAFZNE-UHFFFAOYSA-N
XLogP5.34
TPSA30.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.28
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-(6-fluoro-7-isocyanodibenzofuran-4-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine
CID 154615297
2-[6-isocyano-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]pyridine
CID 154615902
2-dibenzofuran-4-ylpyridine
CID 59500175
2-[7-fluoro-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyridine
CID 165385994
2-(7-isocyano-8-methyl-6-propan-2-yldibenzofuran-4-yl)pyridine
CID 154615180
2-(6-isocyanodibenzoselenophen-4-yl)pyridine
CID 154616215
10-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-f]isoquinoline
CID 172522593
4-pyridin-2-ylxanthen-9-one
CID 167260109
3-methyl-10-pyridin-2-yl-[1]benzofuro[3,2-h]isoquinoline
CID 172522612
2-[6-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162707082
2-(6,8-diethyldibenzofuran-4-yl)pyridine
CID 176637470
2-(5-fluoro-4-isocyano-2-methylphenyl)pyridine
CID 153319439

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-7-isocyanodibenzofuran-4-yl)pyridine?
The IUPAC name of 2-(6-fluoro-7-isocyanodibenzofuran-4-yl)pyridine (CID 154616033) is 2-(6-fluoro-7-isocyanodibenzofuran-4-yl)pyridine.
What is the SMILES notation for 2-(6-fluoro-7-isocyanodibenzofuran-4-yl)pyridine?
The canonical SMILES for 2-(6-fluoro-7-isocyanodibenzofuran-4-yl)pyridine is [C-]#[N+]c1ccc2c(oc3c(-c4ccccn4)cccc32)c1F.
What is the InChIKey of 2-(6-fluoro-7-isocyanodibenzofuran-4-yl)pyridine?
The InChIKey is HDKOFLVUWAFZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9FN2O/c1-20-15-9-8-12-11-5-4-6-13(14-7-2-3-10-21-14)17(11)22-18(12)16(15)19/h2-10H.
What are the key properties of 2-(6-fluoro-7-isocyanodibenzofuran-4-yl)pyridine?
2-(6-fluoro-7-isocyanodibenzofuran-4-yl)pyridine has a molecular weight of 288.28 g/mol, XLogP of 5.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-7-isocyanodibenzofuran-4-yl)pyridine is sourced from PubChem (CID 154616033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).