8-fluoro-4-hydroxy-5-methoxynaphthalene-2-carbonitrile

C12H8FNO2 — CID 58409495

IUPAC8-fluoro-4-hydroxy-5-methoxynaphthalene-2-carbonitrile
SMILESCOc1ccc(F)c2cc(C#N)cc(O)c12
InChIInChI=1S/C12H8FNO2/c1-16-11-3-2-9(13)8-4-7(6-14)5-10(15)12(8)11/h2-5,15H,1H3
InChIKeyLAJAIRYQFRKFRN-UHFFFAOYSA-N
MW217.20 g/mol
LogP2.56
Rot. Bonds1

About 8-fluoro-4-hydroxy-5-methoxynaphthalene-2-carbonitrile

8-fluoro-4-hydroxy-5-methoxynaphthalene-2-carbonitrile (PubChem CID 58409495) has the molecular formula C12H8FNO2 and a molecular weight of 217.20 g/mol. Its IUPAC name is 8-fluoro-4-hydroxy-5-methoxynaphthalene-2-carbonitrile.

Molecular Properties

Compound Name8-fluoro-4-hydroxy-5-methoxynaphthalene-2-carbonitrile
PubChem CID58409495
Molecular FormulaC12H8FNO2
Molecular Weight217.20 g/mol
Exact Mass217.05
IUPAC Name8-fluoro-4-hydroxy-5-methoxynaphthalene-2-carbonitrile
SMILESCOc1ccc(F)c2cc(C#N)cc(O)c12
InChIInChI=1S/C12H8FNO2/c1-16-11-3-2-9(13)8-4-7(6-14)5-10(15)12(8)11/h2-5,15H,1H3
InChIKeyLAJAIRYQFRKFRN-UHFFFAOYSA-N
XLogP2.56
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-fluoro-2-hydroxy-5,6-dimethoxybenzonitrile
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3-(5-acetyl-2-fluorophenyl)-4-methoxybenzonitrile
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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-hydroxy-5-methoxynaphthalene-2-carbonitrile?
The IUPAC name of 8-fluoro-4-hydroxy-5-methoxynaphthalene-2-carbonitrile (CID 58409495) is 8-fluoro-4-hydroxy-5-methoxynaphthalene-2-carbonitrile.
What is the SMILES notation for 8-fluoro-4-hydroxy-5-methoxynaphthalene-2-carbonitrile?
The canonical SMILES for 8-fluoro-4-hydroxy-5-methoxynaphthalene-2-carbonitrile is COc1ccc(F)c2cc(C#N)cc(O)c12.
What is the InChIKey of 8-fluoro-4-hydroxy-5-methoxynaphthalene-2-carbonitrile?
The InChIKey is LAJAIRYQFRKFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO2/c1-16-11-3-2-9(13)8-4-7(6-14)5-10(15)12(8)11/h2-5,15H,1H3.
What are the key properties of 8-fluoro-4-hydroxy-5-methoxynaphthalene-2-carbonitrile?
8-fluoro-4-hydroxy-5-methoxynaphthalene-2-carbonitrile has a molecular weight of 217.20 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-hydroxy-5-methoxynaphthalene-2-carbonitrile is sourced from PubChem (CID 58409495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).