2-(6-isocyano-9H-fluoren-1-yl)pyridine

C19H12N2 — CID 162258416

IUPAC2-(6-isocyano-9H-fluoren-1-yl)pyridine
SMILES[C-]#[N+]c1ccc2c(c1)-c1cccc(-c3ccccn3)c1C2
InChIInChI=1S/C19H12N2/c1-20-14-9-8-13-11-18-15(17(13)12-14)5-4-6-16(18)19-7-2-3-10-21-19/h2-10,12H,11H2
InChIKeyARHNJDUEWMFVMQ-UHFFFAOYSA-N
MW268.32 g/mol
LogP4.87
Rot. Bonds1

About 2-(6-isocyano-9H-fluoren-1-yl)pyridine

2-(6-isocyano-9H-fluoren-1-yl)pyridine (PubChem CID 162258416) has the molecular formula C19H12N2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(6-isocyano-9H-fluoren-1-yl)pyridine.

Molecular Properties

Compound Name2-(6-isocyano-9H-fluoren-1-yl)pyridine
PubChem CID162258416
Molecular FormulaC19H12N2
Molecular Weight268.32 g/mol
Exact Mass268.10
IUPAC Name2-(6-isocyano-9H-fluoren-1-yl)pyridine
SMILES[C-]#[N+]c1ccc2c(c1)-c1cccc(-c3ccccn3)c1C2
InChIInChI=1S/C19H12N2/c1-20-14-9-8-13-11-18-15(17(13)12-14)5-4-6-16(18)19-7-2-3-10-21-19/h2-10,12H,11H2
InChIKeyARHNJDUEWMFVMQ-UHFFFAOYSA-N
XLogP4.87
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-isocyano-9H-fluoren-1-yl)pyridine?
The IUPAC name of 2-(6-isocyano-9H-fluoren-1-yl)pyridine (CID 162258416) is 2-(6-isocyano-9H-fluoren-1-yl)pyridine.
What is the SMILES notation for 2-(6-isocyano-9H-fluoren-1-yl)pyridine?
The canonical SMILES for 2-(6-isocyano-9H-fluoren-1-yl)pyridine is [C-]#[N+]c1ccc2c(c1)-c1cccc(-c3ccccn3)c1C2.
What is the InChIKey of 2-(6-isocyano-9H-fluoren-1-yl)pyridine?
The InChIKey is ARHNJDUEWMFVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2/c1-20-14-9-8-13-11-18-15(17(13)12-14)5-4-6-16(18)19-7-2-3-10-21-19/h2-10,12H,11H2.
What are the key properties of 2-(6-isocyano-9H-fluoren-1-yl)pyridine?
2-(6-isocyano-9H-fluoren-1-yl)pyridine has a molecular weight of 268.32 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-isocyano-9H-fluoren-1-yl)pyridine is sourced from PubChem (CID 162258416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).