2-fluoro-5-[(2-fluoro-3-pyridinyl)oxymethyl]benzonitrile

C13H8F2N2O — CID 107889224

IUPAC2-fluoro-5-[(2-fluoro-3-pyridinyl)oxymethyl]benzonitrile
SMILESN#Cc1cc(COc2cccnc2F)ccc1F
InChIInChI=1S/C13H8F2N2O/c14-11-4-3-9(6-10(11)7-16)8-18-12-2-1-5-17-13(12)15/h1-6H,8H2
InChIKeyIBIFAQZSZAWVSF-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.81
Rot. Bonds3

About 2-fluoro-5-[(2-fluoro-3-pyridinyl)oxymethyl]benzonitrile

2-fluoro-5-[(2-fluoro-3-pyridinyl)oxymethyl]benzonitrile (PubChem CID 107889224) has the molecular formula C13H8F2N2O and a molecular weight of 246.22 g/mol. Its IUPAC name is 2-fluoro-5-[(2-fluoro-3-pyridinyl)oxymethyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[(2-fluoro-3-pyridinyl)oxymethyl]benzonitrile
PubChem CID107889224
Molecular FormulaC13H8F2N2O
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name2-fluoro-5-[(2-fluoro-3-pyridinyl)oxymethyl]benzonitrile
SMILESN#Cc1cc(COc2cccnc2F)ccc1F
InChIInChI=1S/C13H8F2N2O/c14-11-4-3-9(6-10(11)7-16)8-18-12-2-1-5-17-13(12)15/h1-6H,8H2
InChIKeyIBIFAQZSZAWVSF-UHFFFAOYSA-N
XLogP2.81
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[2-[(3-cyano-4-fluorophenyl)methoxy]phenyl]boronic acid
CID 107882689
5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile
CID 103768202
5-[(4-cyano-2-fluorophenoxy)methyl]-2-fluorobenzonitrile
CID 103793487
2-fluoro-5-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile
CID 103758922
5-[(5-chloro-2-methylphenoxy)methyl]-2-fluorobenzonitrile
CID 114012400
5-[(2,5-dimethylphenoxy)methyl]-2-fluorobenzonitrile
CID 103758788
2-fluoro-5-[[4-fluoro-2-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 107882495
5-[[2-(bromomethyl)-3-chlorophenoxy]methyl]-2-fluorobenzonitrile
CID 107882638
5-[[2-[(1R)-1-aminopropyl]phenoxy]methyl]-2-fluorobenzonitrile
CID 107879480
2-fluoro-5-[(2-propanoylphenoxy)methyl]benzonitrile
CID 103758745
5-[(4-bromo-2-methylphenoxy)methyl]-2-fluorobenzonitrile
CID 107881454
5-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-2-fluorobenzonitrile
CID 107882586

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(2-fluoro-3-pyridinyl)oxymethyl]benzonitrile?
The IUPAC name of 2-fluoro-5-[(2-fluoro-3-pyridinyl)oxymethyl]benzonitrile (CID 107889224) is 2-fluoro-5-[(2-fluoro-3-pyridinyl)oxymethyl]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[(2-fluoro-3-pyridinyl)oxymethyl]benzonitrile?
The canonical SMILES for 2-fluoro-5-[(2-fluoro-3-pyridinyl)oxymethyl]benzonitrile is N#Cc1cc(COc2cccnc2F)ccc1F.
What is the InChIKey of 2-fluoro-5-[(2-fluoro-3-pyridinyl)oxymethyl]benzonitrile?
The InChIKey is IBIFAQZSZAWVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O/c14-11-4-3-9(6-10(11)7-16)8-18-12-2-1-5-17-13(12)15/h1-6H,8H2.
What are the key properties of 2-fluoro-5-[(2-fluoro-3-pyridinyl)oxymethyl]benzonitrile?
2-fluoro-5-[(2-fluoro-3-pyridinyl)oxymethyl]benzonitrile has a molecular weight of 246.22 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(2-fluoro-3-pyridinyl)oxymethyl]benzonitrile is sourced from PubChem (CID 107889224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).