2-fluoro-6-(5-hydroxypentylamino)benzonitrile

C12H15FN2O — CID 62227529

IUPAC2-fluoro-6-(5-hydroxypentylamino)benzonitrile
SMILESN#Cc1c(F)cccc1NCCCCCO
InChIInChI=1S/C12H15FN2O/c13-11-5-4-6-12(10(11)9-14)15-7-2-1-3-8-16/h4-6,15-16H,1-3,7-8H2
InChIKeyBROXSCNZRGQZOZ-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.27
Rot. Bonds6

About 2-fluoro-6-(5-hydroxypentylamino)benzonitrile

2-fluoro-6-(5-hydroxypentylamino)benzonitrile (PubChem CID 62227529) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-fluoro-6-(5-hydroxypentylamino)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(5-hydroxypentylamino)benzonitrile
PubChem CID62227529
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name2-fluoro-6-(5-hydroxypentylamino)benzonitrile
SMILESN#Cc1c(F)cccc1NCCCCCO
InChIInChI=1S/C12H15FN2O/c13-11-5-4-6-12(10(11)9-14)15-7-2-1-3-8-16/h4-6,15-16H,1-3,7-8H2
InChIKeyBROXSCNZRGQZOZ-UHFFFAOYSA-N
XLogP2.27
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-(octylamino)benzonitrile
CID 43580179
5-(2-fluoroanilino)pentan-1-ol
CID 62227332
2-fluoro-6-[4-(pyridin-2-ylamino)butylamino]benzonitrile
CID 51134818
2-fluoro-6-(2-methylsulfanylethylamino)benzonitrile
CID 78911018
5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol
CID 165350008
2-[2-(3,5-difluorophenyl)ethylamino]-6-fluorobenzonitrile
CID 78988425
2-fluoro-6-[(3-hydroxy-3-phenylbutyl)amino]benzonitrile
CID 133495669
2-fluoro-6-[3-(4-methoxyphenyl)propylamino]benzonitrile
CID 133287453
2,3-difluoro-4-(6-hydroxyhexylamino)benzonitrile
CID 107934321
2-(3-benzylsulfonylpropylamino)-6-fluorobenzonitrile
CID 51106901
2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile
CID 43399512
2-fluoro-6-(2-hydroxybutylamino)benzonitrile
CID 60886657

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(5-hydroxypentylamino)benzonitrile?
The IUPAC name of 2-fluoro-6-(5-hydroxypentylamino)benzonitrile (CID 62227529) is 2-fluoro-6-(5-hydroxypentylamino)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(5-hydroxypentylamino)benzonitrile?
The canonical SMILES for 2-fluoro-6-(5-hydroxypentylamino)benzonitrile is N#Cc1c(F)cccc1NCCCCCO.
What is the InChIKey of 2-fluoro-6-(5-hydroxypentylamino)benzonitrile?
The InChIKey is BROXSCNZRGQZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-11-5-4-6-12(10(11)9-14)15-7-2-1-3-8-16/h4-6,15-16H,1-3,7-8H2.
What are the key properties of 2-fluoro-6-(5-hydroxypentylamino)benzonitrile?
2-fluoro-6-(5-hydroxypentylamino)benzonitrile has a molecular weight of 222.26 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(5-hydroxypentylamino)benzonitrile is sourced from PubChem (CID 62227529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).