6-(5-chloro-2-pyridinyl)dibenzofuran-3-carbonitrile

C18H9ClN2O — CID 170931258

IUPAC6-(5-chloro-2-pyridinyl)dibenzofuran-3-carbonitrile
SMILESN#Cc1ccc2c(c1)oc1c(-c3ccc(Cl)cn3)cccc12
InChIInChI=1S/C18H9ClN2O/c19-12-5-7-16(21-10-12)15-3-1-2-14-13-6-4-11(9-20)8-17(13)22-18(14)15/h1-8,10H
InChIKeyNIJLKTQIFTYYGR-UHFFFAOYSA-N
MW304.74 g/mol
LogP5.17
Rot. Bonds1

About 6-(5-chloro-2-pyridinyl)dibenzofuran-3-carbonitrile

6-(5-chloro-2-pyridinyl)dibenzofuran-3-carbonitrile (PubChem CID 170931258) has the molecular formula C18H9ClN2O and a molecular weight of 304.74 g/mol. Its IUPAC name is 6-(5-chloro-2-pyridinyl)dibenzofuran-3-carbonitrile.

Molecular Properties

Compound Name6-(5-chloro-2-pyridinyl)dibenzofuran-3-carbonitrile
PubChem CID170931258
Molecular FormulaC18H9ClN2O
Molecular Weight304.74 g/mol
Exact Mass304.04
IUPAC Name6-(5-chloro-2-pyridinyl)dibenzofuran-3-carbonitrile
SMILESN#Cc1ccc2c(c1)oc1c(-c3ccc(Cl)cn3)cccc12
InChIInChI=1S/C18H9ClN2O/c19-12-5-7-16(21-10-12)15-3-1-2-14-13-6-4-11(9-20)8-17(13)22-18(14)15/h1-8,10H
InChIKeyNIJLKTQIFTYYGR-UHFFFAOYSA-N
XLogP5.17
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.74
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]-4-methyl-2-pyridinyl]dibenzofuran-3-carbonitrile
CID 170930834
1-fluoro-6-pyridin-2-yldibenzofuran-3-carbonitrile
CID 170250799
6-[5-[2-[3,5-bis[1,1,2,2-tetradeuterio-2-(6-phenyl-3-pyridinyl)ethyl]phenyl]-1,1,2,2-tetradeuterioethyl]-4-cyclohexyl-2-pyridinyl]dibenzofuran-3-carbonitrile
CID 170931006
6-(3-dibenzofuran-4-ylphenyl)dibenzofuran-2-carbonitrile
CID 121298243
6-[4-[4-(3-deuterio-6-silaspiro[5.5]undecan-3-yl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-3-carbonitrile
CID 176802702
4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene
CID 162500362
5-tert-butyl-2-dibenzofuran-4-ylpyridine
CID 176637514
2-dibenzofuran-4-yl-5-propan-2-ylpyridine
CID 71236317
3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile
CID 146266788
3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354479
3-[6-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-3-yl]benzonitrile
CID 170546352
4-(3-cyanophenyl)-6-pyridin-2-yldibenzofuran-3-carbonitrile
CID 166043478

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-pyridinyl)dibenzofuran-3-carbonitrile?
The IUPAC name of 6-(5-chloro-2-pyridinyl)dibenzofuran-3-carbonitrile (CID 170931258) is 6-(5-chloro-2-pyridinyl)dibenzofuran-3-carbonitrile.
What is the SMILES notation for 6-(5-chloro-2-pyridinyl)dibenzofuran-3-carbonitrile?
The canonical SMILES for 6-(5-chloro-2-pyridinyl)dibenzofuran-3-carbonitrile is N#Cc1ccc2c(c1)oc1c(-c3ccc(Cl)cn3)cccc12.
What is the InChIKey of 6-(5-chloro-2-pyridinyl)dibenzofuran-3-carbonitrile?
The InChIKey is NIJLKTQIFTYYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClN2O/c19-12-5-7-16(21-10-12)15-3-1-2-14-13-6-4-11(9-20)8-17(13)22-18(14)15/h1-8,10H.
What are the key properties of 6-(5-chloro-2-pyridinyl)dibenzofuran-3-carbonitrile?
6-(5-chloro-2-pyridinyl)dibenzofuran-3-carbonitrile has a molecular weight of 304.74 g/mol, XLogP of 5.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-pyridinyl)dibenzofuran-3-carbonitrile is sourced from PubChem (CID 170931258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).