3,6-difluoro-2-hydroxybenzonitrile

C7H3F2NO — CID 45083150

IUPAC3,6-difluoro-2-hydroxybenzonitrile
SMILESN#Cc1c(F)ccc(F)c1O
InChIInChI=1S/C7H3F2NO/c8-5-1-2-6(9)7(11)4(5)3-10/h1-2,11H
InChIKeySQASFBKKYDOFOK-UHFFFAOYSA-N
MW155.10 g/mol
LogP1.54
Rot. Bonds

About 3,6-difluoro-2-hydroxybenzonitrile

3,6-difluoro-2-hydroxybenzonitrile (PubChem CID 45083150) has the molecular formula C7H3F2NO and a molecular weight of 155.10 g/mol. Its IUPAC name is 3,6-difluoro-2-hydroxybenzonitrile.

Molecular Properties

Compound Name3,6-difluoro-2-hydroxybenzonitrile
PubChem CID45083150
Molecular FormulaC7H3F2NO
Molecular Weight155.10 g/mol
Exact Mass155.02
IUPAC Name3,6-difluoro-2-hydroxybenzonitrile
SMILESN#Cc1c(F)ccc(F)c1O
InChIInChI=1S/C7H3F2NO/c8-5-1-2-6(9)7(11)4(5)3-10/h1-2,11H
InChIKeySQASFBKKYDOFOK-UHFFFAOYSA-N
XLogP1.54
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.10
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-2-hydroxy-3-methylbenzonitrile
CID 88974968
6-fluoro-2-hydroxy-3-methoxybenzonitrile
CID 117276436
2-cyano-4-fluoro-3-hydroxybenzenesulfonyl chloride
CID 130934083
3-[(1R)-1-amino-2-fluoroethyl]-6-fluoro-2-hydroxybenzonitrile;hydrochloride
CID 171256065
2-chloro-6-fluoro-3-hydroxybenzonitrile
CID 83410418
3-[(1R)-1-aminopropyl]-6-fluoro-2-hydroxybenzonitrile
CID 55275570
methyl 3-cyano-4-fluoro-2-hydroxybenzoate
CID 131165349
3-[(1R)-1-amino-3-hydroxypropyl]-6-fluoro-2-hydroxybenzonitrile
CID 131525644
3-[(1S)-1-aminobut-3-enyl]-6-fluoro-2-hydroxybenzonitrile
CID 131623917
3-bromo-2,5-difluoro-6-hydroxybenzonitrile
CID 117339712
3-chloro-2-fluoro-5,6-dihydroxybenzonitrile
CID 117280912
2,3-dichloro-6-fluorobenzonitrile
CID 3767163

Frequently Asked Questions

What is the IUPAC name of 3,6-difluoro-2-hydroxybenzonitrile?
The IUPAC name of 3,6-difluoro-2-hydroxybenzonitrile (CID 45083150) is 3,6-difluoro-2-hydroxybenzonitrile.
What is the SMILES notation for 3,6-difluoro-2-hydroxybenzonitrile?
The canonical SMILES for 3,6-difluoro-2-hydroxybenzonitrile is N#Cc1c(F)ccc(F)c1O.
What is the InChIKey of 3,6-difluoro-2-hydroxybenzonitrile?
The InChIKey is SQASFBKKYDOFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F2NO/c8-5-1-2-6(9)7(11)4(5)3-10/h1-2,11H.
What are the key properties of 3,6-difluoro-2-hydroxybenzonitrile?
3,6-difluoro-2-hydroxybenzonitrile has a molecular weight of 155.10 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-difluoro-2-hydroxybenzonitrile is sourced from PubChem (CID 45083150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).