6-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile

C15H12BrN3 — CID 133304804

IUPAC6-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCc3cccc(Br)c3C2)n1
InChIInChI=1S/C15H12BrN3/c16-14-5-1-3-11-7-8-19(10-13(11)14)15-6-2-4-12(9-17)18-15/h1-6H,7-8,10H2
InChIKeyZONQNAXUTOKLSM-UHFFFAOYSA-N
MW314.19 g/mol
LogP3.28
Rot. Bonds1

About 6-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile

6-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile (PubChem CID 133304804) has the molecular formula C15H12BrN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is 6-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile
PubChem CID133304804
Molecular FormulaC15H12BrN3
Molecular Weight314.19 g/mol
Exact Mass313.02
IUPAC Name6-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCc3cccc(Br)c3C2)n1
InChIInChI=1S/C15H12BrN3/c16-14-5-1-3-11-7-8-19(10-13(11)14)15-6-2-4-12(9-17)18-15/h1-6H,7-8,10H2
InChIKeyZONQNAXUTOKLSM-UHFFFAOYSA-N
XLogP3.28
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyridine-2-carbonitrile
CID 56745627
6-(4-methyl-3-oxopiperazin-1-yl)pyridine-2-carbonitrile
CID 64681399
2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-6-bromobenzonitrile
CID 114885032
8-bromo-2-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 133309018
6-(4-aminopiperidin-1-yl)pyridine-2-carbonitrile
CID 64587586
6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile
CID 115774288
2-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133309031
6-[4-[(2R)-oxolan-2-yl]piperidin-1-yl]pyridine-2-carbonitrile
CID 129476628
4-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile
CID 114524411
8-bromo-2-(4-methyl-3-nitro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline
CID 133309081
6-[4-[2-(4-bromophenyl)sulfonylethyl]piperazin-1-yl]pyridine-2-carbonitrile
CID 133304356
6-(3,4-dimethylpiperazin-1-yl)pyridine-2-carbonitrile
CID 64595716

Frequently Asked Questions

What is the IUPAC name of 6-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile?
The IUPAC name of 6-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile (CID 133304804) is 6-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile is N#Cc1cccc(N2CCc3cccc(Br)c3C2)n1.
What is the InChIKey of 6-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile?
The InChIKey is ZONQNAXUTOKLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3/c16-14-5-1-3-11-7-8-19(10-13(11)14)15-6-2-4-12(9-17)18-15/h1-6H,7-8,10H2.
What are the key properties of 6-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile?
6-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile has a molecular weight of 314.19 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 133304804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).