6-fluoro-1-methoxyisoquinoline-3-carbonitrile

C11H7FN2O — CID 84670486

IUPAC6-fluoro-1-methoxyisoquinoline-3-carbonitrile
SMILESCOc1nc(C#N)cc2cc(F)ccc12
InChIInChI=1S/C11H7FN2O/c1-15-11-10-3-2-8(12)4-7(10)5-9(6-13)14-11/h2-5H,1H3
InChIKeyPGVMYQAJFWWGOC-UHFFFAOYSA-N
MW202.19 g/mol
LogP2.25
Rot. Bonds1

About 6-fluoro-1-methoxyisoquinoline-3-carbonitrile

6-fluoro-1-methoxyisoquinoline-3-carbonitrile (PubChem CID 84670486) has the molecular formula C11H7FN2O and a molecular weight of 202.19 g/mol. Its IUPAC name is 6-fluoro-1-methoxyisoquinoline-3-carbonitrile.

Molecular Properties

Compound Name6-fluoro-1-methoxyisoquinoline-3-carbonitrile
PubChem CID84670486
Molecular FormulaC11H7FN2O
Molecular Weight202.19 g/mol
Exact Mass202.05
IUPAC Name6-fluoro-1-methoxyisoquinoline-3-carbonitrile
SMILESCOc1nc(C#N)cc2cc(F)ccc12
InChIInChI=1S/C11H7FN2O/c1-15-11-10-3-2-8(12)4-7(10)5-9(6-13)14-11/h2-5H,1H3
InChIKeyPGVMYQAJFWWGOC-UHFFFAOYSA-N
XLogP2.25
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-6-methoxyisoquinoline-3-carbonitrile
CID 84684201
4-fluoropyridine-2,6-dicarbonitrile
CID 175672759
1-chloro-7-fluoroisoquinoline-3-carbonitrile
CID 84674705
4-fluoro-2-(4-methoxyphenyl)benzonitrile
CID 67042916
4-chloro-6-fluoroquinoline-2-carbonitrile
CID 83527195
6-methoxy-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133096340
7-methoxy-4-methylquinoline-2-carbonitrile
CID 82573251
6-fluoro-4-methoxy-1H-quinazolin-2-one
CID 84773047
6-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile
CID 71379576
3,6-difluoro-1-methylnaphthalene
CID 138605249
6-fluoro-1-methoxyisoquinolin-4-amine
CID 84663819
5-(difluoromethyl)-6-methoxy-4-nitropyridine-2-carbonitrile
CID 134674457

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methoxyisoquinoline-3-carbonitrile?
The IUPAC name of 6-fluoro-1-methoxyisoquinoline-3-carbonitrile (CID 84670486) is 6-fluoro-1-methoxyisoquinoline-3-carbonitrile.
What is the SMILES notation for 6-fluoro-1-methoxyisoquinoline-3-carbonitrile?
The canonical SMILES for 6-fluoro-1-methoxyisoquinoline-3-carbonitrile is COc1nc(C#N)cc2cc(F)ccc12.
What is the InChIKey of 6-fluoro-1-methoxyisoquinoline-3-carbonitrile?
The InChIKey is PGVMYQAJFWWGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O/c1-15-11-10-3-2-8(12)4-7(10)5-9(6-13)14-11/h2-5H,1H3.
What are the key properties of 6-fluoro-1-methoxyisoquinoline-3-carbonitrile?
6-fluoro-1-methoxyisoquinoline-3-carbonitrile has a molecular weight of 202.19 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methoxyisoquinoline-3-carbonitrile is sourced from PubChem (CID 84670486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).