1,10-phenanthroline-2-carbonitrile

C13H7N3 — CID 680341

IUPAC1,10-phenanthroline-2-carbonitrile
SMILESN#Cc1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C13H7N3/c14-8-11-6-5-10-4-3-9-2-1-7-15-12(9)13(10)16-11/h1-7H
InChIKeyLSMQCFPLQFCYAW-UHFFFAOYSA-N
MW205.22 g/mol
LogP2.65
Rot. Bonds

About 1,10-phenanthroline-2-carbonitrile

1,10-phenanthroline-2-carbonitrile (PubChem CID 680341) has the molecular formula C13H7N3 and a molecular weight of 205.22 g/mol. Its IUPAC name is 1,10-phenanthroline-2-carbonitrile.

Molecular Properties

Compound Name1,10-phenanthroline-2-carbonitrile
PubChem CID680341
Molecular FormulaC13H7N3
Molecular Weight205.22 g/mol
Exact Mass205.06
IUPAC Name1,10-phenanthroline-2-carbonitrile
SMILESN#Cc1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C13H7N3/c14-8-11-6-5-10-4-3-9-2-1-7-15-12(9)13(10)16-11/h1-7H
InChIKeyLSMQCFPLQFCYAW-UHFFFAOYSA-N
XLogP2.65
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,10-phenanthroline-2-carbonitrile?
The IUPAC name of 1,10-phenanthroline-2-carbonitrile (CID 680341) is 1,10-phenanthroline-2-carbonitrile.
What is the SMILES notation for 1,10-phenanthroline-2-carbonitrile?
The canonical SMILES for 1,10-phenanthroline-2-carbonitrile is N#Cc1ccc2ccc3cccnc3c2n1.
What is the InChIKey of 1,10-phenanthroline-2-carbonitrile?
The InChIKey is LSMQCFPLQFCYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N3/c14-8-11-6-5-10-4-3-9-2-1-7-15-12(9)13(10)16-11/h1-7H.
What are the key properties of 1,10-phenanthroline-2-carbonitrile?
1,10-phenanthroline-2-carbonitrile has a molecular weight of 205.22 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-phenanthroline-2-carbonitrile is sourced from PubChem (CID 680341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).