5-fluoro-3-hydroxy-2-methylbenzonitrile

C8H6FNO — CID 86715311

IUPAC5-fluoro-3-hydroxy-2-methylbenzonitrile
SMILESCc1c(O)cc(F)cc1C#N
InChIInChI=1S/C8H6FNO/c1-5-6(4-10)2-7(9)3-8(5)11/h2-3,11H,1H3
InChIKeyZDHVJNGYPFUUIG-UHFFFAOYSA-N
MW151.14 g/mol
LogP1.71
Rot. Bonds

About 5-fluoro-3-hydroxy-2-methylbenzonitrile

5-fluoro-3-hydroxy-2-methylbenzonitrile (PubChem CID 86715311) has the molecular formula C8H6FNO and a molecular weight of 151.14 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-2-methylbenzonitrile.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-2-methylbenzonitrile
PubChem CID86715311
Molecular FormulaC8H6FNO
Molecular Weight151.14 g/mol
Exact Mass151.04
IUPAC Name5-fluoro-3-hydroxy-2-methylbenzonitrile
SMILESCc1c(O)cc(F)cc1C#N
InChIInChI=1S/C8H6FNO/c1-5-6(4-10)2-7(9)3-8(5)11/h2-3,11H,1H3
InChIKeyZDHVJNGYPFUUIG-UHFFFAOYSA-N
XLogP1.71
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-2-methylphenol
CID 20580699
2-(4-fluoro-2-hydroxy-6-methylphenyl)acetonitrile
CID 171021976
3-bromo-5-fluoro-2-hydroxybenzonitrile
CID 23148942
3-bromo-5-fluoro-2-methylphenol;ethane
CID 156879236
3-(1-aminoethyl)-5-fluoro-2-hydroxybenzonitrile
CID 130062616
2,3,5-trifluorobenzonitrile
CID 2776998
5-fluoro-3-formyl-2-hydroxybenzonitrile
CID 130063153
3-(cyanomethyl)-5-fluoro-2-hydroxybenzonitrile
CID 131536390
5-fluoro-2-methyl-1H-indole-7-carbonitrile
CID 130063688
5-chloro-4-fluoro-2,3-dimethylbenzonitrile
CID 166921944
2,5-difluoro-3-methylsulfanylbenzonitrile
CID 117280034
methyl 3-cyano-5-fluoro-2-hydroxybenzoate
CID 130951356

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-2-methylbenzonitrile?
The IUPAC name of 5-fluoro-3-hydroxy-2-methylbenzonitrile (CID 86715311) is 5-fluoro-3-hydroxy-2-methylbenzonitrile.
What is the SMILES notation for 5-fluoro-3-hydroxy-2-methylbenzonitrile?
The canonical SMILES for 5-fluoro-3-hydroxy-2-methylbenzonitrile is Cc1c(O)cc(F)cc1C#N.
What is the InChIKey of 5-fluoro-3-hydroxy-2-methylbenzonitrile?
The InChIKey is ZDHVJNGYPFUUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO/c1-5-6(4-10)2-7(9)3-8(5)11/h2-3,11H,1H3.
What are the key properties of 5-fluoro-3-hydroxy-2-methylbenzonitrile?
5-fluoro-3-hydroxy-2-methylbenzonitrile has a molecular weight of 151.14 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hydroxy-2-methylbenzonitrile is sourced from PubChem (CID 86715311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).