5-fluoro-2-[(3-fluoro-4-hydroxyphenyl)methylamino]benzonitrile

C14H10F2N2O — CID 103703300

IUPAC5-fluoro-2-[(3-fluoro-4-hydroxyphenyl)methylamino]benzonitrile
SMILESN#Cc1cc(F)ccc1NCc1ccc(O)c(F)c1
InChIInChI=1S/C14H10F2N2O/c15-11-2-3-13(10(6-11)7-17)18-8-9-1-4-14(19)12(16)5-9/h1-6,18-19H,8H2
InChIKeyIWDOKLUEIRGXPB-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.15
Rot. Bonds3

About 5-fluoro-2-[(3-fluoro-4-hydroxyphenyl)methylamino]benzonitrile

5-fluoro-2-[(3-fluoro-4-hydroxyphenyl)methylamino]benzonitrile (PubChem CID 103703300) has the molecular formula C14H10F2N2O and a molecular weight of 260.24 g/mol. Its IUPAC name is 5-fluoro-2-[(3-fluoro-4-hydroxyphenyl)methylamino]benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-[(3-fluoro-4-hydroxyphenyl)methylamino]benzonitrile
PubChem CID103703300
Molecular FormulaC14H10F2N2O
Molecular Weight260.24 g/mol
Exact Mass260.08
IUPAC Name5-fluoro-2-[(3-fluoro-4-hydroxyphenyl)methylamino]benzonitrile
SMILESN#Cc1cc(F)ccc1NCc1ccc(O)c(F)c1
InChIInChI=1S/C14H10F2N2O/c15-11-2-3-13(10(6-11)7-17)18-8-9-1-4-14(19)12(16)5-9/h1-6,18-19H,8H2
InChIKeyIWDOKLUEIRGXPB-UHFFFAOYSA-N
XLogP3.15
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chloro-3-fluorophenyl)methylamino]-5-fluorobenzonitrile
CID 82012960
5-fluoro-2-[(3,4,5-trifluorophenyl)methylamino]benzonitrile
CID 82014691
2-[[4-(2-aminoethyl)phenyl]methylamino]-5-fluorobenzonitrile
CID 63674991
5-fluoro-2-[(2-hydroxyphenyl)methylamino]benzonitrile
CID 82015763
2-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylamino]-5-fluorobenzonitrile
CID 133411353
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-5-fluorobenzonitrile
CID 79034163
2-fluoro-4-[(4-fluoro-2-nitroanilino)methyl]phenol
CID 103680801
[4-[(2-cyano-4-fluoroanilino)methyl]phenyl]methanesulfonamide
CID 75374034
2-[(3-aminophenyl)methylamino]-5-fluorobenzonitrile
CID 63674317
3-fluoro-5-[(3-fluoro-4-hydroxyphenyl)methylamino]-4-methylbenzonitrile
CID 107685525
4-[(3-fluoro-4-hydroxyphenyl)methylamino]-3-methoxybenzonitrile
CID 107686003
2-[(3-bromo-4-methoxyphenyl)methylamino]-5-fluorobenzonitrile
CID 79034247

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(3-fluoro-4-hydroxyphenyl)methylamino]benzonitrile?
The IUPAC name of 5-fluoro-2-[(3-fluoro-4-hydroxyphenyl)methylamino]benzonitrile (CID 103703300) is 5-fluoro-2-[(3-fluoro-4-hydroxyphenyl)methylamino]benzonitrile.
What is the SMILES notation for 5-fluoro-2-[(3-fluoro-4-hydroxyphenyl)methylamino]benzonitrile?
The canonical SMILES for 5-fluoro-2-[(3-fluoro-4-hydroxyphenyl)methylamino]benzonitrile is N#Cc1cc(F)ccc1NCc1ccc(O)c(F)c1.
What is the InChIKey of 5-fluoro-2-[(3-fluoro-4-hydroxyphenyl)methylamino]benzonitrile?
The InChIKey is IWDOKLUEIRGXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O/c15-11-2-3-13(10(6-11)7-17)18-8-9-1-4-14(19)12(16)5-9/h1-6,18-19H,8H2.
What are the key properties of 5-fluoro-2-[(3-fluoro-4-hydroxyphenyl)methylamino]benzonitrile?
5-fluoro-2-[(3-fluoro-4-hydroxyphenyl)methylamino]benzonitrile has a molecular weight of 260.24 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(3-fluoro-4-hydroxyphenyl)methylamino]benzonitrile is sourced from PubChem (CID 103703300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).