7-hydroxy-1-methylisoquinoline-6-carbonitrile

C11H8N2O — CID 163482743

IUPAC7-hydroxy-1-methylisoquinoline-6-carbonitrile
SMILESCc1nccc2cc(C#N)c(O)cc12
InChIInChI=1S/C11H8N2O/c1-7-10-5-11(14)9(6-12)4-8(10)2-3-13-7/h2-5,14H,1H3
InChIKeyCFZCZZQIVRVMFC-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.12
Rot. Bonds

About 7-hydroxy-1-methylisoquinoline-6-carbonitrile

7-hydroxy-1-methylisoquinoline-6-carbonitrile (PubChem CID 163482743) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 7-hydroxy-1-methylisoquinoline-6-carbonitrile.

Molecular Properties

Compound Name7-hydroxy-1-methylisoquinoline-6-carbonitrile
PubChem CID163482743
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name7-hydroxy-1-methylisoquinoline-6-carbonitrile
SMILESCc1nccc2cc(C#N)c(O)cc12
InChIInChI=1S/C11H8N2O/c1-7-10-5-11(14)9(6-12)4-8(10)2-3-13-7/h2-5,14H,1H3
InChIKeyCFZCZZQIVRVMFC-UHFFFAOYSA-N
XLogP2.12
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1-methylisoquinoline-6-carbonitrile?
The IUPAC name of 7-hydroxy-1-methylisoquinoline-6-carbonitrile (CID 163482743) is 7-hydroxy-1-methylisoquinoline-6-carbonitrile.
What is the SMILES notation for 7-hydroxy-1-methylisoquinoline-6-carbonitrile?
The canonical SMILES for 7-hydroxy-1-methylisoquinoline-6-carbonitrile is Cc1nccc2cc(C#N)c(O)cc12.
What is the InChIKey of 7-hydroxy-1-methylisoquinoline-6-carbonitrile?
The InChIKey is CFZCZZQIVRVMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c1-7-10-5-11(14)9(6-12)4-8(10)2-3-13-7/h2-5,14H,1H3.
What are the key properties of 7-hydroxy-1-methylisoquinoline-6-carbonitrile?
7-hydroxy-1-methylisoquinoline-6-carbonitrile has a molecular weight of 184.20 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1-methylisoquinoline-6-carbonitrile is sourced from PubChem (CID 163482743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).