6-fluoro-2-hydroxy-3-methoxybenzonitrile

C8H6FNO2 — CID 117276436

IUPAC6-fluoro-2-hydroxy-3-methoxybenzonitrile
SMILESCOc1ccc(F)c(C#N)c1O
InChIInChI=1S/C8H6FNO2/c1-12-7-3-2-6(9)5(4-10)8(7)11/h2-3,11H,1H3
InChIKeyXPCQOIPPHJYNBG-UHFFFAOYSA-N
MW167.14 g/mol
LogP1.41
Rot. Bonds1

About 6-fluoro-2-hydroxy-3-methoxybenzonitrile

6-fluoro-2-hydroxy-3-methoxybenzonitrile (PubChem CID 117276436) has the molecular formula C8H6FNO2 and a molecular weight of 167.14 g/mol. Its IUPAC name is 6-fluoro-2-hydroxy-3-methoxybenzonitrile.

Molecular Properties

Compound Name6-fluoro-2-hydroxy-3-methoxybenzonitrile
PubChem CID117276436
Molecular FormulaC8H6FNO2
Molecular Weight167.14 g/mol
Exact Mass167.04
IUPAC Name6-fluoro-2-hydroxy-3-methoxybenzonitrile
SMILESCOc1ccc(F)c(C#N)c1O
InChIInChI=1S/C8H6FNO2/c1-12-7-3-2-6(9)5(4-10)8(7)11/h2-3,11H,1H3
InChIKeyXPCQOIPPHJYNBG-UHFFFAOYSA-N
XLogP1.41
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-difluoro-2-hydroxybenzonitrile
CID 45083150
6-fluoro-2-hydroxy-3-methylbenzonitrile
CID 88974968
methyl 3-cyano-4-fluoro-2-hydroxybenzoate
CID 131165349
2-acetyl-3-fluoro-6-methoxybenzonitrile
CID 83410546
3-fluoro-2-hydroxy-5,6-dimethoxybenzonitrile
CID 117286568
2-(4-fluoro-3-methylphenyl)-4-hydroxy-5-methoxybenzene-1,3-dicarbonitrile
CID 131743315
2-(4-fluoro-3-methoxyphenyl)-4,5-dihydroxybenzene-1,3-dicarbonitrile
CID 72547797
2-cyano-6-fluoro-3-methoxybenzenesulfonyl chloride
CID 55279109
4-fluoro-2-methoxybenzene-1,3-dicarbonitrile
CID 118901962
2-fluoro-6-(hydroxymethyl)-3-methoxybenzonitrile
CID 131297253
2-fluoro-6-methoxy-3-sulfanylbenzonitrile
CID 171022670
ethane;2-fluoro-3-methoxy-6-methylbenzonitrile
CID 144958009

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-hydroxy-3-methoxybenzonitrile?
The IUPAC name of 6-fluoro-2-hydroxy-3-methoxybenzonitrile (CID 117276436) is 6-fluoro-2-hydroxy-3-methoxybenzonitrile.
What is the SMILES notation for 6-fluoro-2-hydroxy-3-methoxybenzonitrile?
The canonical SMILES for 6-fluoro-2-hydroxy-3-methoxybenzonitrile is COc1ccc(F)c(C#N)c1O.
What is the InChIKey of 6-fluoro-2-hydroxy-3-methoxybenzonitrile?
The InChIKey is XPCQOIPPHJYNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO2/c1-12-7-3-2-6(9)5(4-10)8(7)11/h2-3,11H,1H3.
What are the key properties of 6-fluoro-2-hydroxy-3-methoxybenzonitrile?
6-fluoro-2-hydroxy-3-methoxybenzonitrile has a molecular weight of 167.14 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-hydroxy-3-methoxybenzonitrile is sourced from PubChem (CID 117276436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).