1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolo[2,3-b]pyridine-3-carbonitrile

C18H15N3 — CID 86606791

IUPAC1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1cn(C2CCCc3ccccc32)c2ncccc12
InChIInChI=1S/C18H15N3/c19-11-14-12-21(18-16(14)8-4-10-20-18)17-9-3-6-13-5-1-2-7-15(13)17/h1-2,4-5,7-8,10,12,17H,3,6,9H2
InChIKeySLLAIEMMNLRKLA-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.83
Rot. Bonds1

About 1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolo[2,3-b]pyridine-3-carbonitrile

1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolo[2,3-b]pyridine-3-carbonitrile (PubChem CID 86606791) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolo[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolo[2,3-b]pyridine-3-carbonitrile
PubChem CID86606791
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1cn(C2CCCc3ccccc32)c2ncccc12
InChIInChI=1S/C18H15N3/c19-11-14-12-21(18-16(14)8-4-10-20-18)17-9-3-6-13-5-1-2-7-15(13)17/h1-2,4-5,7-8,10,12,17H,3,6,9H2
InChIKeySLLAIEMMNLRKLA-UHFFFAOYSA-N
XLogP3.83
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolo[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolo[2,3-b]pyridine-3-carbonitrile (CID 86606791) is 1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolo[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolo[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolo[2,3-b]pyridine-3-carbonitrile is N#Cc1cn(C2CCCc3ccccc32)c2ncccc12.
What is the InChIKey of 1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolo[2,3-b]pyridine-3-carbonitrile?
The InChIKey is SLLAIEMMNLRKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c19-11-14-12-21(18-16(14)8-4-10-20-18)17-9-3-6-13-5-1-2-7-15(13)17/h1-2,4-5,7-8,10,12,17H,3,6,9H2.
What are the key properties of 1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolo[2,3-b]pyridine-3-carbonitrile?
1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolo[2,3-b]pyridine-3-carbonitrile has a molecular weight of 273.34 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolo[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 86606791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).