6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile

C22H18N2O — CID 170252554

IUPAC6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile
SMILESCC(C)Cc1cccc2c1oc1c(-c3ccccn3)ccc(C#N)c12
InChIInChI=1S/C22H18N2O/c1-14(2)12-15-6-5-7-18-20-16(13-23)9-10-17(22(20)25-21(15)18)19-8-3-4-11-24-19/h3-11,14H,12H2,1-2H3
InChIKeyGECAGTLGPMDFKH-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.72
Rot. Bonds3

About 6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile

6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile (PubChem CID 170252554) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile.

Molecular Properties

Compound Name6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile
PubChem CID170252554
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile
SMILESCC(C)Cc1cccc2c1oc1c(-c3ccccn3)ccc(C#N)c12
InChIInChI=1S/C22H18N2O/c1-14(2)12-15-6-5-7-18-20-16(13-23)9-10-17(22(20)25-21(15)18)19-8-3-4-11-24-19/h3-11,14H,12H2,1-2H3
InChIKeyGECAGTLGPMDFKH-UHFFFAOYSA-N
XLogP5.72
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(2-methylpropyl)-3-phenyl-6-pyridin-2-yldibenzofuran-4-carbonitrile
CID 170253714
8-pyridin-2-yl-[1]benzofuro[2,3-b]pyridine-4-carbonitrile
CID 154615719
8-(4-propan-2-ylphenyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile
CID 170253105
4-carbazol-9-yl-9-propan-2-yl-6-pyridin-2-yldibenzofuran-3-carbonitrile
CID 177287949
4-carbazol-9-yl-9-(1,1-dideuterio-2,2-dimethylpropyl)-6-pyridin-2-yldibenzofuran-3-carbonitrile
CID 171055531
8-methyl-6-pyridin-2-yldibenzofuran-4-carbonitrile
CID 170251109
9-(1,1-dideuterio-2,2-dimethylpropyl)-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-pyridin-2-yldibenzofuran-3-carbonitrile
CID 171407231
9-(1,1-dideuterio-2,2-dimethylpropyl)-3-phenyl-6-pyridin-2-yldibenzofuran-4-carbonitrile
CID 171055533
4-phenanthren-2-yl-6-pyridin-2-yldibenzofuran-3-carbonitrile
CID 169077042
4-(3-cyanophenyl)-6-pyridin-2-yldibenzofuran-3-carbonitrile
CID 166043478
2-(1-butan-2-yldibenzofuran-4-yl)pyridine
CID 171576764
2-(6,8-diethyldibenzofuran-4-yl)pyridine
CID 176637470

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile?
The IUPAC name of 6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile (CID 170252554) is 6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile.
What is the SMILES notation for 6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile?
The canonical SMILES for 6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile is CC(C)Cc1cccc2c1oc1c(-c3ccccn3)ccc(C#N)c12.
What is the InChIKey of 6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile?
The InChIKey is GECAGTLGPMDFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-14(2)12-15-6-5-7-18-20-16(13-23)9-10-17(22(20)25-21(15)18)19-8-3-4-11-24-19/h3-11,14H,12H2,1-2H3.
What are the key properties of 6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile?
6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile has a molecular weight of 326.40 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile is sourced from PubChem (CID 170252554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).