3-fluoro-2-hydroxy-4-methylbenzonitrile

C8H6FNO — CID 117275995

IUPAC3-fluoro-2-hydroxy-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(O)c1F
InChIInChI=1S/C8H6FNO/c1-5-2-3-6(4-10)8(11)7(5)9/h2-3,11H,1H3
InChIKeyUQVNEPHEQSRFCU-UHFFFAOYSA-N
MW151.14 g/mol
LogP1.71
Rot. Bonds

About 3-fluoro-2-hydroxy-4-methylbenzonitrile

3-fluoro-2-hydroxy-4-methylbenzonitrile (PubChem CID 117275995) has the molecular formula C8H6FNO and a molecular weight of 151.14 g/mol. Its IUPAC name is 3-fluoro-2-hydroxy-4-methylbenzonitrile.

Molecular Properties

Compound Name3-fluoro-2-hydroxy-4-methylbenzonitrile
PubChem CID117275995
Molecular FormulaC8H6FNO
Molecular Weight151.14 g/mol
Exact Mass151.04
IUPAC Name3-fluoro-2-hydroxy-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(O)c1F
InChIInChI=1S/C8H6FNO/c1-5-2-3-6(4-10)8(11)7(5)9/h2-3,11H,1H3
InChIKeyUQVNEPHEQSRFCU-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-acetyl-2-hydroxy-4-methylbenzonitrile
CID 171020901
3-hydroxy-2-methoxy-4-methylbenzonitrile
CID 117276163
2-(6-cyano-2-fluoro-3-methylphenyl)acetic acid
CID 131168116
6-fluoro-2-hydroxy-3-methylbenzonitrile
CID 88974968
(3S)-3-amino-3-(3-fluoro-2-hydroxy-4-methylphenyl)propanenitrile
CID 130665481
2,6-difluoro-3-methylphenol;ethane
CID 143572521
3-butanoyl-2-fluoro-4-methylbenzonitrile
CID 166823951
2-fluoro-4-hydroxy-3-methylsulfanylbenzonitrile
CID 117279402
4-fluoro-5-methylbenzene-1,2-dicarbonitrile
CID 146962290
2-fluoro-6-(1-hydroxyethyl)-3-methylphenol
CID 117276805
4-acetyl-2-fluoro-3-methylbenzonitrile
CID 131525272
3-fluoro-4-hydroxy-2-methoxybenzonitrile
CID 117276441

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydroxy-4-methylbenzonitrile?
The IUPAC name of 3-fluoro-2-hydroxy-4-methylbenzonitrile (CID 117275995) is 3-fluoro-2-hydroxy-4-methylbenzonitrile.
What is the SMILES notation for 3-fluoro-2-hydroxy-4-methylbenzonitrile?
The canonical SMILES for 3-fluoro-2-hydroxy-4-methylbenzonitrile is Cc1ccc(C#N)c(O)c1F.
What is the InChIKey of 3-fluoro-2-hydroxy-4-methylbenzonitrile?
The InChIKey is UQVNEPHEQSRFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO/c1-5-2-3-6(4-10)8(11)7(5)9/h2-3,11H,1H3.
What are the key properties of 3-fluoro-2-hydroxy-4-methylbenzonitrile?
3-fluoro-2-hydroxy-4-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 3-fluoro-2-hydroxy-4-methylbenzonitrile is sourced from PubChem (CID 117275995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).