2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzonitrile

C14H11FN2O — CID 62318189

IUPAC2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzonitrile
SMILESN#Cc1cc(NCc2ccccc2O)ccc1F
InChIInChI=1S/C14H11FN2O/c15-13-6-5-12(7-11(13)8-16)17-9-10-3-1-2-4-14(10)18/h1-7,17-18H,9H2
InChIKeyWYCBYNYIUDNBKX-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.02
Rot. Bonds3

About 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzonitrile

2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzonitrile (PubChem CID 62318189) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzonitrile
PubChem CID62318189
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzonitrile
SMILESN#Cc1cc(NCc2ccccc2O)ccc1F
InChIInChI=1S/C14H11FN2O/c15-13-6-5-12(7-11(13)8-16)17-9-10-3-1-2-4-14(10)18/h1-7,17-18H,9H2
InChIKeyWYCBYNYIUDNBKX-UHFFFAOYSA-N
XLogP3.02
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzonitrile
CID 79979673
2-fluoro-5-(1H-indol-3-ylmethylamino)benzonitrile
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5-[(2-hydroxyphenyl)methylamino]-2-nitrobenzonitrile
CID 104843463
5-[(3-chloro-4-hydroxyphenyl)methylamino]-2-fluorobenzonitrile
CID 55057823
5-(ethylamino)-2-fluorobenzonitrile
CID 62316083
2-[(4-hydroxy-3-methylanilino)methyl]benzonitrile
CID 114017959
2-bromo-4-[(2-fluorophenyl)methylamino]benzonitrile
CID 107275835
5-[(2-chloro-4-methylphenyl)methylamino]-2-fluorobenzonitrile
CID 106862578
2-[(4-chloro-3-fluoroanilino)methyl]phenol
CID 4913246
4-chloro-2-[(2-hydroxyphenyl)methylamino]benzonitrile
CID 43681545
5-fluoro-2-[(2-hydroxyphenyl)methylamino]benzonitrile
CID 82015763
5-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]-2-fluorobenzonitrile
CID 62317150

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzonitrile?
The IUPAC name of 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzonitrile (CID 62318189) is 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzonitrile?
The canonical SMILES for 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzonitrile is N#Cc1cc(NCc2ccccc2O)ccc1F.
What is the InChIKey of 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzonitrile?
The InChIKey is WYCBYNYIUDNBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c15-13-6-5-12(7-11(13)8-16)17-9-10-3-1-2-4-14(10)18/h1-7,17-18H,9H2.
What are the key properties of 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzonitrile?
2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzonitrile has a molecular weight of 242.25 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzonitrile is sourced from PubChem (CID 62318189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).