4-bromo-5-isocyano-2,6-diphenylpyridine-3-carbonitrile

C19H10BrN3 — CID 154586869

IUPAC4-bromo-5-isocyano-2,6-diphenylpyridine-3-carbonitrile
SMILES[C-]#[N+]c1c(-c2ccccc2)nc(-c2ccccc2)c(C#N)c1Br
InChIInChI=1S/C19H10BrN3/c1-22-19-16(20)15(12-21)17(13-8-4-2-5-9-13)23-18(19)14-10-6-3-7-11-14/h2-11H
InChIKeyDXJSZVTYCBVTIJ-UHFFFAOYSA-N
MW360.21 g/mol
LogP5.60
Rot. Bonds2

About 4-bromo-5-isocyano-2,6-diphenylpyridine-3-carbonitrile

4-bromo-5-isocyano-2,6-diphenylpyridine-3-carbonitrile (PubChem CID 154586869) has the molecular formula C19H10BrN3 and a molecular weight of 360.21 g/mol. Its IUPAC name is 4-bromo-5-isocyano-2,6-diphenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-5-isocyano-2,6-diphenylpyridine-3-carbonitrile
PubChem CID154586869
Molecular FormulaC19H10BrN3
Molecular Weight360.21 g/mol
Exact Mass359.01
IUPAC Name4-bromo-5-isocyano-2,6-diphenylpyridine-3-carbonitrile
SMILES[C-]#[N+]c1c(-c2ccccc2)nc(-c2ccccc2)c(C#N)c1Br
InChIInChI=1S/C19H10BrN3/c1-22-19-16(20)15(12-21)17(13-8-4-2-5-9-13)23-18(19)14-10-6-3-7-11-14/h2-11H
InChIKeyDXJSZVTYCBVTIJ-UHFFFAOYSA-N
XLogP5.60
TPSA41.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.21
LogP ≤ 55.60
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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Related Compounds

3-isocyano-5,6-diphenylpyrazine-2-carbonitrile
CID 140658534
3,5,6-triphenylpyrazine-2-carbonitrile
CID 134914114
4-[5-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)thiophen-2-yl]-2,7,9-triphenyl-1,10-phenanthroline-3-carbonitrile
CID 58049693
4-(4-bromophenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile
CID 166627923
2-fluoro-3-isocyano-4,5,6-triphenylbenzonitrile
CID 140701425
4-[5-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-1-methylpyrrol-2-yl]-2,7,9-triphenyl-1,10-phenanthroline-3-carbonitrile
CID 58049696
6-isocyano-5-methyl-2-phenyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile
CID 23399500
4,6-dichloro-3-isocyano-2-phenylpyridine
CID 123187056
potassium 5-cyano-4-phenyl-2-sulfanylidene-1H-pyrimidin-6-olate
CID 136859361
4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile
CID 12862277
6-amino-2,4-diphenylpyridine-3-carbonitrile
CID 12686862
2-amino-4-fluoro-5-isocyano-3,6-diphenylbenzonitrile
CID 172519636

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-isocyano-2,6-diphenylpyridine-3-carbonitrile?
The IUPAC name of 4-bromo-5-isocyano-2,6-diphenylpyridine-3-carbonitrile (CID 154586869) is 4-bromo-5-isocyano-2,6-diphenylpyridine-3-carbonitrile.
What is the SMILES notation for 4-bromo-5-isocyano-2,6-diphenylpyridine-3-carbonitrile?
The canonical SMILES for 4-bromo-5-isocyano-2,6-diphenylpyridine-3-carbonitrile is [C-]#[N+]c1c(-c2ccccc2)nc(-c2ccccc2)c(C#N)c1Br.
What is the InChIKey of 4-bromo-5-isocyano-2,6-diphenylpyridine-3-carbonitrile?
The InChIKey is DXJSZVTYCBVTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10BrN3/c1-22-19-16(20)15(12-21)17(13-8-4-2-5-9-13)23-18(19)14-10-6-3-7-11-14/h2-11H.
What are the key properties of 4-bromo-5-isocyano-2,6-diphenylpyridine-3-carbonitrile?
4-bromo-5-isocyano-2,6-diphenylpyridine-3-carbonitrile has a molecular weight of 360.21 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-isocyano-2,6-diphenylpyridine-3-carbonitrile is sourced from PubChem (CID 154586869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).