6-fluoro-2-hydroxy-3-methylbenzonitrile

C8H6FNO — CID 88974968

IUPAC6-fluoro-2-hydroxy-3-methylbenzonitrile
SMILESCc1ccc(F)c(C#N)c1O
InChIInChI=1S/C8H6FNO/c1-5-2-3-7(9)6(4-10)8(5)11/h2-3,11H,1H3
InChIKeyBFKSIKJIZRGOSC-UHFFFAOYSA-N
MW151.14 g/mol
LogP1.71
Rot. Bonds

About 6-fluoro-2-hydroxy-3-methylbenzonitrile

6-fluoro-2-hydroxy-3-methylbenzonitrile (PubChem CID 88974968) has the molecular formula C8H6FNO and a molecular weight of 151.14 g/mol. Its IUPAC name is 6-fluoro-2-hydroxy-3-methylbenzonitrile.

Molecular Properties

Compound Name6-fluoro-2-hydroxy-3-methylbenzonitrile
PubChem CID88974968
Molecular FormulaC8H6FNO
Molecular Weight151.14 g/mol
Exact Mass151.04
IUPAC Name6-fluoro-2-hydroxy-3-methylbenzonitrile
SMILESCc1ccc(F)c(C#N)c1O
InChIInChI=1S/C8H6FNO/c1-5-2-3-7(9)6(4-10)8(5)11/h2-3,11H,1H3
InChIKeyBFKSIKJIZRGOSC-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

3,6-difluoro-2-hydroxybenzonitrile
CID 45083150
6-fluoro-2-hydroxy-3-methoxybenzonitrile
CID 117276436
3-fluoro-6-methyl-2-sulfanylbenzonitrile
CID 148733726
3-[(1R)-1-aminopropyl]-6-fluoro-2-hydroxybenzonitrile
CID 55275570
methyl 3-cyano-4-fluoro-2-hydroxybenzoate
CID 131165349
2-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)acetonitrile
CID 130061204
3-fluoro-2-hydroxy-4-methylbenzonitrile
CID 117275995
3-[(1R)-1-amino-2-fluoroethyl]-6-fluoro-2-hydroxybenzonitrile;hydrochloride
CID 171256065
3,6-dihydroxybenzene-1,2-dicarbonitrile;3,6-dimethylbenzene-1,2-dicarbonitrile
CID 169425543
2-amino-3-fluoro-6-methylphenol
CID 131278270
2-chloro-6-fluoro-3-hydroxybenzonitrile
CID 83410418
3-amino-2-hydroxy-6-methylbenzonitrile
CID 21184585

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-hydroxy-3-methylbenzonitrile?
The IUPAC name of 6-fluoro-2-hydroxy-3-methylbenzonitrile (CID 88974968) is 6-fluoro-2-hydroxy-3-methylbenzonitrile.
What is the SMILES notation for 6-fluoro-2-hydroxy-3-methylbenzonitrile?
The canonical SMILES for 6-fluoro-2-hydroxy-3-methylbenzonitrile is Cc1ccc(F)c(C#N)c1O.
What is the InChIKey of 6-fluoro-2-hydroxy-3-methylbenzonitrile?
The InChIKey is BFKSIKJIZRGOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO/c1-5-2-3-7(9)6(4-10)8(5)11/h2-3,11H,1H3.
What are the key properties of 6-fluoro-2-hydroxy-3-methylbenzonitrile?
6-fluoro-2-hydroxy-3-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 6-fluoro-2-hydroxy-3-methylbenzonitrile is sourced from PubChem (CID 88974968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).