4-(4-fluorophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile

C19H14FN3O — CID 154644727

IUPAC4-(4-fluorophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile
SMILESCOc1nc(-c2ncccc2C)cc(-c2ccc(F)cc2)c1C#N
InChIInChI=1S/C19H14FN3O/c1-12-4-3-9-22-18(12)17-10-15(13-5-7-14(20)8-6-13)16(11-21)19(23-17)24-2/h3-10H,1-2H3
InChIKeyPYVOUZRKECXKGO-UHFFFAOYSA-N
MW319.34 g/mol
LogP4.14
Rot. Bonds3

About 4-(4-fluorophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile

4-(4-fluorophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile (PubChem CID 154644727) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile
PubChem CID154644727
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name4-(4-fluorophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile
SMILESCOc1nc(-c2ncccc2C)cc(-c2ccc(F)cc2)c1C#N
InChIInChI=1S/C19H14FN3O/c1-12-4-3-9-22-18(12)17-10-15(13-5-7-14(20)8-6-13)16(11-21)19(23-17)24-2/h3-10H,1-2H3
InChIKeyPYVOUZRKECXKGO-UHFFFAOYSA-N
XLogP4.14
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile (CID 154644727) is 4-(4-fluorophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile is COc1nc(-c2ncccc2C)cc(-c2ccc(F)cc2)c1C#N.
What is the InChIKey of 4-(4-fluorophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile?
The InChIKey is PYVOUZRKECXKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c1-12-4-3-9-22-18(12)17-10-15(13-5-7-14(20)8-6-13)16(11-21)19(23-17)24-2/h3-10H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile?
4-(4-fluorophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile has a molecular weight of 319.34 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methoxy-6-(3-methyl-2-pyridinyl)pyridine-3-carbonitrile is sourced from PubChem (CID 154644727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).