4-(4-fluorophenyl)-5-[(2-methyl-4-pyridinyl)methoxy]pyridine-2-carbonitrile

C19H14FN3O — CID 122539686

IUPAC4-(4-fluorophenyl)-5-[(2-methyl-4-pyridinyl)methoxy]pyridine-2-carbonitrile
SMILESCc1cc(COc2cnc(C#N)cc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C19H14FN3O/c1-13-8-14(6-7-22-13)12-24-19-11-23-17(10-21)9-18(19)15-2-4-16(20)5-3-15/h2-9,11H,12H2,1H3
InChIKeyFJWZSVHUGROHAR-UHFFFAOYSA-N
MW319.34 g/mol
LogP4.04
Rot. Bonds4

About 4-(4-fluorophenyl)-5-[(2-methyl-4-pyridinyl)methoxy]pyridine-2-carbonitrile

4-(4-fluorophenyl)-5-[(2-methyl-4-pyridinyl)methoxy]pyridine-2-carbonitrile (PubChem CID 122539686) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[(2-methyl-4-pyridinyl)methoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[(2-methyl-4-pyridinyl)methoxy]pyridine-2-carbonitrile
PubChem CID122539686
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name4-(4-fluorophenyl)-5-[(2-methyl-4-pyridinyl)methoxy]pyridine-2-carbonitrile
SMILESCc1cc(COc2cnc(C#N)cc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C19H14FN3O/c1-13-8-14(6-7-22-13)12-24-19-11-23-17(10-21)9-18(19)15-2-4-16(20)5-3-15/h2-9,11H,12H2,1H3
InChIKeyFJWZSVHUGROHAR-UHFFFAOYSA-N
XLogP4.04
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[(2-methyl-4-pyridinyl)methoxy]pyridine-2-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-5-[(2-methyl-4-pyridinyl)methoxy]pyridine-2-carbonitrile (CID 122539686) is 4-(4-fluorophenyl)-5-[(2-methyl-4-pyridinyl)methoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[(2-methyl-4-pyridinyl)methoxy]pyridine-2-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-5-[(2-methyl-4-pyridinyl)methoxy]pyridine-2-carbonitrile is Cc1cc(COc2cnc(C#N)cc2-c2ccc(F)cc2)ccn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[(2-methyl-4-pyridinyl)methoxy]pyridine-2-carbonitrile?
The InChIKey is FJWZSVHUGROHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c1-13-8-14(6-7-22-13)12-24-19-11-23-17(10-21)9-18(19)15-2-4-16(20)5-3-15/h2-9,11H,12H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-5-[(2-methyl-4-pyridinyl)methoxy]pyridine-2-carbonitrile?
4-(4-fluorophenyl)-5-[(2-methyl-4-pyridinyl)methoxy]pyridine-2-carbonitrile has a molecular weight of 319.34 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[(2-methyl-4-pyridinyl)methoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 122539686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).