6-[4-(5-isocyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile

C18H10N4 — CID 58774670

IUPAC6-[4-(5-isocyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
SMILES[C-]#[N+]c1ccc(-c2ccc(-c3ccc(C#N)cn3)cc2)nc1
InChIInChI=1S/C18H10N4/c1-20-16-7-9-18(22-12-16)15-5-3-14(4-6-15)17-8-2-13(10-19)11-21-17/h2-9,11-12H
InChIKeyHNBDOLZAKKJKJV-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.23
Rot. Bonds2

About 6-[4-(5-isocyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile

6-[4-(5-isocyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile (PubChem CID 58774670) has the molecular formula C18H10N4 and a molecular weight of 282.31 g/mol. Its IUPAC name is 6-[4-(5-isocyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(5-isocyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
PubChem CID58774670
Molecular FormulaC18H10N4
Molecular Weight282.31 g/mol
Exact Mass282.09
IUPAC Name6-[4-(5-isocyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
SMILES[C-]#[N+]c1ccc(-c2ccc(-c3ccc(C#N)cn3)cc2)nc1
InChIInChI=1S/C18H10N4/c1-20-16-7-9-18(22-12-16)15-5-3-14(4-6-15)17-8-2-13(10-19)11-21-17/h2-9,11-12H
InChIKeyHNBDOLZAKKJKJV-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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Related Compounds

6-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-3-carbonitrile
CID 58478021
6-[4-(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
CID 11849612
4-[5-(5-isocyano-2-pyridinyl)furan-2-yl]benzonitrile
CID 58932604
4-(4-isocyanophenyl)benzonitrile
CID 22899905
6-(4-prop-2-enylphenyl)pyridine-3-carbonitrile
CID 69230670
5-fluoro-2-(4-isocyanophenyl)pyridine
CID 176758449
5-[5-[3-[6-(5-cyano-3-pyridinyl)-3-pyridinyl]-5-[6-(5-isocyano-3-pyridinyl)-3-pyridinyl]phenyl]-2-pyridinyl]pyridine-3-carbonitrile
CID 140769223
6-(3,4-difluorophenyl)pyridine-3-carbonitrile
CID 82113723
4-[4-(4-cyano-N-[4-(4-isocyanophenyl)phenyl]anilino)phenyl]benzonitrile
CID 169061616
6-naphthalen-2-ylpyridine-3-carbonitrile
CID 10537434
6-[5-(4-cyanophenyl)selenophen-2-yl]pyridine-3-carbonitrile
CID 86649440
4-[4-(4-isocyanophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 140889097

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-isocyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(5-isocyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile (CID 58774670) is 6-[4-(5-isocyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(5-isocyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(5-isocyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile is [C-]#[N+]c1ccc(-c2ccc(-c3ccc(C#N)cn3)cc2)nc1.
What is the InChIKey of 6-[4-(5-isocyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile?
The InChIKey is HNBDOLZAKKJKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N4/c1-20-16-7-9-18(22-12-16)15-5-3-14(4-6-15)17-8-2-13(10-19)11-21-17/h2-9,11-12H.
What are the key properties of 6-[4-(5-isocyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile?
6-[4-(5-isocyano-2-pyridinyl)phenyl]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-[4-(5-isocyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 58774670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).