7-bromo-1-methoxyisoquinoline-4-carbonitrile

C11H7BrN2O — CID 84710963

IUPAC7-bromo-1-methoxyisoquinoline-4-carbonitrile
SMILESCOc1ncc(C#N)c2ccc(Br)cc12
InChIInChI=1S/C11H7BrN2O/c1-15-11-10-4-8(12)2-3-9(10)7(5-13)6-14-11/h2-4,6H,1H3
InChIKeyFZNSKRLSOQRTKK-UHFFFAOYSA-N
MW263.09 g/mol
LogP2.88
Rot. Bonds1

About 7-bromo-1-methoxyisoquinoline-4-carbonitrile

7-bromo-1-methoxyisoquinoline-4-carbonitrile (PubChem CID 84710963) has the molecular formula C11H7BrN2O and a molecular weight of 263.09 g/mol. Its IUPAC name is 7-bromo-1-methoxyisoquinoline-4-carbonitrile.

Molecular Properties

Compound Name7-bromo-1-methoxyisoquinoline-4-carbonitrile
PubChem CID84710963
Molecular FormulaC11H7BrN2O
Molecular Weight263.09 g/mol
Exact Mass261.97
IUPAC Name7-bromo-1-methoxyisoquinoline-4-carbonitrile
SMILESCOc1ncc(C#N)c2ccc(Br)cc12
InChIInChI=1S/C11H7BrN2O/c1-15-11-10-4-8(12)2-3-9(10)7(5-13)6-14-11/h2-4,6H,1H3
InChIKeyFZNSKRLSOQRTKK-UHFFFAOYSA-N
XLogP2.88
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.09
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-ethyl-1-methoxyisoquinoline-4-carbonitrile
CID 84679115
9-bromobenzo[h]isoquinoline-6-carbonitrile
CID 57455559
7-bromo-1-methoxyisoquinoline
CID 67491611
7-bromo-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile
CID 23437819
4-(4-bromophenyl)-6,7-dimethoxyquinoline-3-carbonitrile
CID 174463121
2-methoxypyridine-3,5-dicarbonitrile
CID 84650868
7-bromo-4-(diethylamino)quinoline-3-carbonitrile
CID 50877287
4-(3-bromophenoxy)-2-methylpyrimidine-5-carbonitrile
CID 112755249
4-bromo-1-methoxy-6-methylisoquinoline
CID 84707543
6-bromo-4-(propylamino)quinoline-3-carbonitrile
CID 62190068
4-bromo-2-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 114905243
1-chloro-6,7-dimethoxyisoquinoline-4-carbonitrile
CID 87574214

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-methoxyisoquinoline-4-carbonitrile?
The IUPAC name of 7-bromo-1-methoxyisoquinoline-4-carbonitrile (CID 84710963) is 7-bromo-1-methoxyisoquinoline-4-carbonitrile.
What is the SMILES notation for 7-bromo-1-methoxyisoquinoline-4-carbonitrile?
The canonical SMILES for 7-bromo-1-methoxyisoquinoline-4-carbonitrile is COc1ncc(C#N)c2ccc(Br)cc12.
What is the InChIKey of 7-bromo-1-methoxyisoquinoline-4-carbonitrile?
The InChIKey is FZNSKRLSOQRTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O/c1-15-11-10-4-8(12)2-3-9(10)7(5-13)6-14-11/h2-4,6H,1H3.
What are the key properties of 7-bromo-1-methoxyisoquinoline-4-carbonitrile?
7-bromo-1-methoxyisoquinoline-4-carbonitrile has a molecular weight of 263.09 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-methoxyisoquinoline-4-carbonitrile is sourced from PubChem (CID 84710963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).