8-bromoisoquinoline-1-carbonitrile

C10H5BrN2 — CID 82571529

IUPAC8-bromoisoquinoline-1-carbonitrile
SMILESN#Cc1nccc2cccc(Br)c12
InChIInChI=1S/C10H5BrN2/c11-8-3-1-2-7-4-5-13-9(6-12)10(7)8/h1-5H
InChIKeyZNDGXHPYMBOWNF-UHFFFAOYSA-N
MW233.07 g/mol
LogP2.87
Rot. Bonds

About 8-bromoisoquinoline-1-carbonitrile

8-bromoisoquinoline-1-carbonitrile (PubChem CID 82571529) has the molecular formula C10H5BrN2 and a molecular weight of 233.07 g/mol. Its IUPAC name is 8-bromoisoquinoline-1-carbonitrile.

Molecular Properties

Compound Name8-bromoisoquinoline-1-carbonitrile
PubChem CID82571529
Molecular FormulaC10H5BrN2
Molecular Weight233.07 g/mol
Exact Mass231.96
IUPAC Name8-bromoisoquinoline-1-carbonitrile
SMILESN#Cc1nccc2cccc(Br)c12
InChIInChI=1S/C10H5BrN2/c11-8-3-1-2-7-4-5-13-9(6-12)10(7)8/h1-5H
InChIKeyZNDGXHPYMBOWNF-UHFFFAOYSA-N
XLogP2.87
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.07
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline-1-carbonitrile
CID 171157559
8-bromo-1-methoxyisoquinoline
CID 68697338
4-bromo-3-methylpyridine-2-carbonitrile
CID 55253016
3-(2-bromopyrimidin-5-yl)pyridine-2-carbonitrile
CID 170449856
3-bromopyridine-2,4-dicarbonitrile
CID 150877137
8-amino-7-methoxyisoquinoline-1-carbonitrile
CID 86130451
8-bromo-1-isoquinolin-8-ylisoquinoline
CID 67483045
1-tert-butylisoquinoline-8-carbonitrile
CID 168729947
(E)-3-(8-bromonaphthalen-1-yl)prop-2-enenitrile
CID 170362843
3-bromo-4-phenylpyridine-2-carbonitrile
CID 130138671
3-[7-(2-cyano-3-pyridinyl)pyren-2-yl]pyridine-2-carbonitrile
CID 118397742
2,6-dibromobenzonitrile
CID 12683209

Frequently Asked Questions

What is the IUPAC name of 8-bromoisoquinoline-1-carbonitrile?
The IUPAC name of 8-bromoisoquinoline-1-carbonitrile (CID 82571529) is 8-bromoisoquinoline-1-carbonitrile.
What is the SMILES notation for 8-bromoisoquinoline-1-carbonitrile?
The canonical SMILES for 8-bromoisoquinoline-1-carbonitrile is N#Cc1nccc2cccc(Br)c12.
What is the InChIKey of 8-bromoisoquinoline-1-carbonitrile?
The InChIKey is ZNDGXHPYMBOWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrN2/c11-8-3-1-2-7-4-5-13-9(6-12)10(7)8/h1-5H.
What are the key properties of 8-bromoisoquinoline-1-carbonitrile?
8-bromoisoquinoline-1-carbonitrile has a molecular weight of 233.07 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromoisoquinoline-1-carbonitrile is sourced from PubChem (CID 82571529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).