6-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carbonitrile

C15H12N2 — CID 82114384

IUPAC6-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)CCC3)nc1
InChIInChI=1S/C15H12N2/c16-9-11-4-7-15(17-10-11)14-6-5-12-2-1-3-13(12)8-14/h4-8,10H,1-3H2
InChIKeyXCLDTJFXTWUKGB-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.11
Rot. Bonds1

About 6-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carbonitrile

6-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carbonitrile (PubChem CID 82114384) has the molecular formula C15H12N2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carbonitrile
PubChem CID82114384
Molecular FormulaC15H12N2
Molecular Weight220.27 g/mol
Exact Mass220.10
IUPAC Name6-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)CCC3)nc1
InChIInChI=1S/C15H12N2/c16-9-11-4-7-15(17-10-11)14-6-5-12-2-1-3-13(12)8-14/h4-8,10H,1-3H2
InChIKeyXCLDTJFXTWUKGB-UHFFFAOYSA-N
XLogP3.11
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[4-(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
CID 11849612
6-(3,4-difluorophenyl)pyridine-3-carbonitrile
CID 82113723
2-(2,3-dihydro-1H-inden-5-yl)-5-methoxypyridine-4-carbonitrile
CID 116864667
6-naphthalen-2-ylpyridine-3-carbonitrile
CID 10537434
6-[5-(4-cyanophenyl)selenophen-2-yl]pyridine-3-carbonitrile
CID 86649440
2-(2,3-dihydro-1H-inden-5-yl)pyrazine
CID 141313830
6-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)pyridine-3-carbonitrile
CID 82119162
2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carbonitrile
CID 116857857
6-[4-(5-isocyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
CID 58774670
3-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]propanenitrile
CID 116901099
6-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-3-carbonitrile
CID 58478021
2-(2,3-dihydro-1H-inden-5-yl)-5-hydroxypyridine-4-carboxylic acid
CID 116864741

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carbonitrile (CID 82114384) is 6-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carbonitrile is N#Cc1ccc(-c2ccc3c(c2)CCC3)nc1.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carbonitrile?
The InChIKey is XCLDTJFXTWUKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2/c16-9-11-4-7-15(17-10-11)14-6-5-12-2-1-3-13(12)8-14/h4-8,10H,1-3H2.
What are the key properties of 6-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carbonitrile?
6-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carbonitrile has a molecular weight of 220.27 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 82114384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).