2-benzoylpyrido[1,2-b]isoindole-6-carbonitrile

C20H12N2O — CID 12951297

IUPAC2-benzoylpyrido[1,2-b]isoindole-6-carbonitrile
SMILESN#Cc1c2ccccc2c2cc(C(=O)c3ccccc3)ccn12
InChIInChI=1S/C20H12N2O/c21-13-19-17-9-5-4-8-16(17)18-12-15(10-11-22(18)19)20(23)14-6-2-1-3-7-14/h1-12H
InChIKeyICKMVHNXHILKCU-UHFFFAOYSA-N
MW296.33 g/mol
LogP4.20
Rot. Bonds2

About 2-benzoylpyrido[1,2-b]isoindole-6-carbonitrile

2-benzoylpyrido[1,2-b]isoindole-6-carbonitrile (PubChem CID 12951297) has the molecular formula C20H12N2O and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-benzoylpyrido[1,2-b]isoindole-6-carbonitrile.

Molecular Properties

Compound Name2-benzoylpyrido[1,2-b]isoindole-6-carbonitrile
PubChem CID12951297
Molecular FormulaC20H12N2O
Molecular Weight296.33 g/mol
Exact Mass296.09
IUPAC Name2-benzoylpyrido[1,2-b]isoindole-6-carbonitrile
SMILESN#Cc1c2ccccc2c2cc(C(=O)c3ccccc3)ccn12
InChIInChI=1S/C20H12N2O/c21-13-19-17-9-5-4-8-16(17)18-12-15(10-11-22(18)19)20(23)14-6-2-1-3-7-14/h1-12H
InChIKeyICKMVHNXHILKCU-UHFFFAOYSA-N
XLogP4.20
TPSA45.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-benzoylanthracene-9-carbonitrile
CID 71356838
diphenylmethanone
CID 3102
[1-benzoyl-3-(4-bromobenzoyl)indolizin-7-yl]-phenylmethanone
CID 3248899
3-benzoyl-2-hydroxypyrrolo[2,1-a]isoquinoline-1-carbonitrile
CID 136693997
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
[4-[9-[3-(4-benzoylphenyl)carbazol-9-yl]carbazol-3-yl]phenyl]-phenylmethanone
CID 155444189
phenyl(pyridin-4-yl)methanone;pyridine-4-carbonitrile
CID 67912656
[3-(3-carbazol-9-ylbenzoyl)phenyl]-(3-carbazol-9-ylphenyl)methanone
CID 58084752
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865

Frequently Asked Questions

What is the IUPAC name of 2-benzoylpyrido[1,2-b]isoindole-6-carbonitrile?
The IUPAC name of 2-benzoylpyrido[1,2-b]isoindole-6-carbonitrile (CID 12951297) is 2-benzoylpyrido[1,2-b]isoindole-6-carbonitrile.
What is the SMILES notation for 2-benzoylpyrido[1,2-b]isoindole-6-carbonitrile?
The canonical SMILES for 2-benzoylpyrido[1,2-b]isoindole-6-carbonitrile is N#Cc1c2ccccc2c2cc(C(=O)c3ccccc3)ccn12.
What is the InChIKey of 2-benzoylpyrido[1,2-b]isoindole-6-carbonitrile?
The InChIKey is ICKMVHNXHILKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O/c21-13-19-17-9-5-4-8-16(17)18-12-15(10-11-22(18)19)20(23)14-6-2-1-3-7-14/h1-12H.
What are the key properties of 2-benzoylpyrido[1,2-b]isoindole-6-carbonitrile?
2-benzoylpyrido[1,2-b]isoindole-6-carbonitrile has a molecular weight of 296.33 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoylpyrido[1,2-b]isoindole-6-carbonitrile is sourced from PubChem (CID 12951297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).