6-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-3-carbonitrile

C18H10N4 — CID 58478021

IUPAC6-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-3-carbonitrile
SMILES[C-]#[N+]c1ccc(-c2ccc(-c3ccc(C#N)cn3)cn2)cc1
InChIInChI=1S/C18H10N4/c1-20-16-6-3-14(4-7-16)17-9-5-15(12-22-17)18-8-2-13(10-19)11-21-18/h2-9,11-12H
InChIKeyAEXPXIJFANBBEF-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.23
Rot. Bonds2

About 6-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-3-carbonitrile

6-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-3-carbonitrile (PubChem CID 58478021) has the molecular formula C18H10N4 and a molecular weight of 282.31 g/mol. Its IUPAC name is 6-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-3-carbonitrile
PubChem CID58478021
Molecular FormulaC18H10N4
Molecular Weight282.31 g/mol
Exact Mass282.09
IUPAC Name6-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-3-carbonitrile
SMILES[C-]#[N+]c1ccc(-c2ccc(-c3ccc(C#N)cn3)cn2)cc1
InChIInChI=1S/C18H10N4/c1-20-16-6-3-14(4-7-16)17-9-5-15(12-22-17)18-8-2-13(10-19)11-21-18/h2-9,11-12H
InChIKeyAEXPXIJFANBBEF-UHFFFAOYSA-N
XLogP4.23
TPSA53.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 6-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-3-carbonitrile (CID 58478021) is 6-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-3-carbonitrile is [C-]#[N+]c1ccc(-c2ccc(-c3ccc(C#N)cn3)cn2)cc1.
What is the InChIKey of 6-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-3-carbonitrile?
The InChIKey is AEXPXIJFANBBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N4/c1-20-16-6-3-14(4-7-16)17-9-5-15(12-22-17)18-8-2-13(10-19)11-21-18/h2-9,11-12H.
What are the key properties of 6-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-3-carbonitrile?
6-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-3-carbonitrile has a molecular weight of 282.31 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-3-carbonitrile is sourced from PubChem (CID 58478021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).