3-fluoro-5-[(4-phenylphenyl)methoxy]pyridine-2-carbonitrile

C19H13FN2O — CID 118524885

IUPAC3-fluoro-5-[(4-phenylphenyl)methoxy]pyridine-2-carbonitrile
SMILESN#Cc1ncc(OCc2ccc(-c3ccccc3)cc2)cc1F
InChIInChI=1S/C19H13FN2O/c20-18-10-17(12-22-19(18)11-21)23-13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-10,12H,13H2
InChIKeyAFLYKTQJWKTCAQ-UHFFFAOYSA-N
MW304.32 g/mol
LogP4.34
Rot. Bonds4

About 3-fluoro-5-[(4-phenylphenyl)methoxy]pyridine-2-carbonitrile

3-fluoro-5-[(4-phenylphenyl)methoxy]pyridine-2-carbonitrile (PubChem CID 118524885) has the molecular formula C19H13FN2O and a molecular weight of 304.32 g/mol. Its IUPAC name is 3-fluoro-5-[(4-phenylphenyl)methoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-fluoro-5-[(4-phenylphenyl)methoxy]pyridine-2-carbonitrile
PubChem CID118524885
Molecular FormulaC19H13FN2O
Molecular Weight304.32 g/mol
Exact Mass304.10
IUPAC Name3-fluoro-5-[(4-phenylphenyl)methoxy]pyridine-2-carbonitrile
SMILESN#Cc1ncc(OCc2ccc(-c3ccccc3)cc2)cc1F
InChIInChI=1S/C19H13FN2O/c20-18-10-17(12-22-19(18)11-21)23-13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-10,12H,13H2
InChIKeyAFLYKTQJWKTCAQ-UHFFFAOYSA-N
XLogP4.34
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(4-phenylphenyl)methoxy]pyridine-2-carbonitrile?
The IUPAC name of 3-fluoro-5-[(4-phenylphenyl)methoxy]pyridine-2-carbonitrile (CID 118524885) is 3-fluoro-5-[(4-phenylphenyl)methoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 3-fluoro-5-[(4-phenylphenyl)methoxy]pyridine-2-carbonitrile?
The canonical SMILES for 3-fluoro-5-[(4-phenylphenyl)methoxy]pyridine-2-carbonitrile is N#Cc1ncc(OCc2ccc(-c3ccccc3)cc2)cc1F.
What is the InChIKey of 3-fluoro-5-[(4-phenylphenyl)methoxy]pyridine-2-carbonitrile?
The InChIKey is AFLYKTQJWKTCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O/c20-18-10-17(12-22-19(18)11-21)23-13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-10,12H,13H2.
What are the key properties of 3-fluoro-5-[(4-phenylphenyl)methoxy]pyridine-2-carbonitrile?
3-fluoro-5-[(4-phenylphenyl)methoxy]pyridine-2-carbonitrile has a molecular weight of 304.32 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(4-phenylphenyl)methoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 118524885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).