4-(4-fluorobenzenecarboximidoyl)-3-(hydroxymethyl)benzonitrile

C15H11FN2O — CID 142939310

IUPAC4-(4-fluorobenzenecarboximidoyl)-3-(hydroxymethyl)benzonitrile
SMILES[H]/N=C(\c1ccc(F)cc1)c1ccc(C#N)cc1CO
InChIInChI=1S/C15H11FN2O/c16-13-4-2-11(3-5-13)15(18)14-6-1-10(8-17)7-12(14)9-19/h1-7,18-19H,9H2/b18-15+
InChIKeyWONVBNXNADELHW-OBGWFSINSA-N
MW254.26 g/mol
LogP2.61
Rot. Bonds3

About 4-(4-fluorobenzenecarboximidoyl)-3-(hydroxymethyl)benzonitrile

4-(4-fluorobenzenecarboximidoyl)-3-(hydroxymethyl)benzonitrile (PubChem CID 142939310) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 4-(4-fluorobenzenecarboximidoyl)-3-(hydroxymethyl)benzonitrile.

Molecular Properties

Compound Name4-(4-fluorobenzenecarboximidoyl)-3-(hydroxymethyl)benzonitrile
PubChem CID142939310
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name4-(4-fluorobenzenecarboximidoyl)-3-(hydroxymethyl)benzonitrile
SMILES[H]/N=C(\c1ccc(F)cc1)c1ccc(C#N)cc1CO
InChIInChI=1S/C15H11FN2O/c16-13-4-2-11(3-5-13)15(18)14-6-1-10(8-17)7-12(14)9-19/h1-7,18-19H,9H2/b18-15+
InChIKeyWONVBNXNADELHW-OBGWFSINSA-N
XLogP2.61
TPSA67.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-(4-fluorobenzenecarboximidoyl)-3-(hydroxymethyl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-4-(hydroxymethyl)benzonitrile
CID 18779740
4-[4-(dimethylamino)butanoyl]-3-(hydroxymethyl)benzonitrile
CID 121230749
4-[4-[2-(methylamino)benzenecarboximidoyl]phenyl]benzonitrile
CID 163687396
CID 174593138
CID 174593138
3-ethyl-4-(hydroxymethyl)benzonitrile
CID 24971956
2-(4-fluorobenzenecarboximidoyl)aniline
CID 86616565
4-[(1R)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile;4-[(1S)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile
CID 76965636
3,4-di(ethanimidoyl)benzonitrile
CID 147563554
[4-[4-cyano-2-(hydroxymethyl)phenyl]-4-(4-fluorophenyl)-4-hydroxybutyl]-dimethylazanium chloride
CID 175673505
3-[4-(2-aminobenzenecarboximidoyl)phenyl]benzonitrile
CID 118682362
4-[5-(dimethylamino)-1-(4-fluorophenyl)-2-hydroxypentan-2-yl]-3-(hydroxymethyl)benzonitrile
CID 91383759
4-[4-[bis(trideuteriomethyl)amino]butanoyl]-3-(hydroxymethyl)benzonitrile
CID 169438752

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorobenzenecarboximidoyl)-3-(hydroxymethyl)benzonitrile?
The IUPAC name of 4-(4-fluorobenzenecarboximidoyl)-3-(hydroxymethyl)benzonitrile (CID 142939310) is 4-(4-fluorobenzenecarboximidoyl)-3-(hydroxymethyl)benzonitrile.
What is the SMILES notation for 4-(4-fluorobenzenecarboximidoyl)-3-(hydroxymethyl)benzonitrile?
The canonical SMILES for 4-(4-fluorobenzenecarboximidoyl)-3-(hydroxymethyl)benzonitrile is [H]/N=C(\c1ccc(F)cc1)c1ccc(C#N)cc1CO.
What is the InChIKey of 4-(4-fluorobenzenecarboximidoyl)-3-(hydroxymethyl)benzonitrile?
The InChIKey is WONVBNXNADELHW-OBGWFSINSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-13-4-2-11(3-5-13)15(18)14-6-1-10(8-17)7-12(14)9-19/h1-7,18-19H,9H2/b18-15+.
What are the key properties of 4-(4-fluorobenzenecarboximidoyl)-3-(hydroxymethyl)benzonitrile?
4-(4-fluorobenzenecarboximidoyl)-3-(hydroxymethyl)benzonitrile has a molecular weight of 254.26 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorobenzenecarboximidoyl)-3-(hydroxymethyl)benzonitrile is sourced from PubChem (CID 142939310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).