8-isocyano-1,6-naphthyridine

C9H5N3 — CID 58972917

IUPAC8-isocyano-1,6-naphthyridine
SMILES[C-]#[N+]c1cncc2cccnc12
InChIInChI=1S/C9H5N3/c1-10-8-6-11-5-7-3-2-4-12-9(7)8/h2-6H
InChIKeyJFCBIOPPJFTXME-UHFFFAOYSA-N
MW155.16 g/mol
LogP2.18
Rot. Bonds

About 8-isocyano-1,6-naphthyridine

8-isocyano-1,6-naphthyridine (PubChem CID 58972917) has the molecular formula C9H5N3 and a molecular weight of 155.16 g/mol. Its IUPAC name is 8-isocyano-1,6-naphthyridine.

Molecular Properties

Compound Name8-isocyano-1,6-naphthyridine
PubChem CID58972917
Molecular FormulaC9H5N3
Molecular Weight155.16 g/mol
Exact Mass155.05
IUPAC Name8-isocyano-1,6-naphthyridine
SMILES[C-]#[N+]c1cncc2cccnc12
InChIInChI=1S/C9H5N3/c1-10-8-6-11-5-7-3-2-4-12-9(7)8/h2-6H
InChIKeyJFCBIOPPJFTXME-UHFFFAOYSA-N
XLogP2.18
TPSA30.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 8-isocyano-1,6-naphthyridine?
The IUPAC name of 8-isocyano-1,6-naphthyridine (CID 58972917) is 8-isocyano-1,6-naphthyridine.
What is the SMILES notation for 8-isocyano-1,6-naphthyridine?
The canonical SMILES for 8-isocyano-1,6-naphthyridine is [C-]#[N+]c1cncc2cccnc12.
What is the InChIKey of 8-isocyano-1,6-naphthyridine?
The InChIKey is JFCBIOPPJFTXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3/c1-10-8-6-11-5-7-3-2-4-12-9(7)8/h2-6H.
What are the key properties of 8-isocyano-1,6-naphthyridine?
8-isocyano-1,6-naphthyridine has a molecular weight of 155.16 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-isocyano-1,6-naphthyridine is sourced from PubChem (CID 58972917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).