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

C19H14FN3O2 — CID 154644718

IUPAC4-(4-fluorophenyl)-2-methoxy-6-(3-methoxy-2-pyridinyl)pyridine-3-carbonitrile
SMILESCOc1cccnc1-c1cc(-c2ccc(F)cc2)c(C#N)c(OC)n1
InChIInChI=1S/C19H14FN3O2/c1-24-17-4-3-9-22-18(17)16-10-14(12-5-7-13(20)8-6-12)15(11-21)19(23-16)25-2/h3-10H,1-2H3
InChIKeyIKJKQBQYLYAQFI-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.84
Rot. Bonds4

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

4-(4-fluorophenyl)-2-methoxy-6-(3-methoxy-2-pyridinyl)pyridine-3-carbonitrile (PubChem CID 154644718) has the molecular formula C19H14FN3O2 and a molecular weight of 335.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methoxy-6-(3-methoxy-2-pyridinyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methoxy-6-(3-methoxy-2-pyridinyl)pyridine-3-carbonitrile
PubChem CID154644718
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Name4-(4-fluorophenyl)-2-methoxy-6-(3-methoxy-2-pyridinyl)pyridine-3-carbonitrile
SMILESCOc1cccnc1-c1cc(-c2ccc(F)cc2)c(C#N)c(OC)n1
InChIInChI=1S/C19H14FN3O2/c1-24-17-4-3-9-22-18(17)16-10-14(12-5-7-13(20)8-6-12)15(11-21)19(23-16)25-2/h3-10H,1-2H3
InChIKeyIKJKQBQYLYAQFI-UHFFFAOYSA-N
XLogP3.84
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methoxy-6-(3-methoxy-2-pyridinyl)pyridine-3-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-2-methoxy-6-(3-methoxy-2-pyridinyl)pyridine-3-carbonitrile (CID 154644718) is 4-(4-fluorophenyl)-2-methoxy-6-(3-methoxy-2-pyridinyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methoxy-6-(3-methoxy-2-pyridinyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-2-methoxy-6-(3-methoxy-2-pyridinyl)pyridine-3-carbonitrile is COc1cccnc1-c1cc(-c2ccc(F)cc2)c(C#N)c(OC)n1.
What is the InChIKey of 4-(4-fluorophenyl)-2-methoxy-6-(3-methoxy-2-pyridinyl)pyridine-3-carbonitrile?
The InChIKey is IKJKQBQYLYAQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2/c1-24-17-4-3-9-22-18(17)16-10-14(12-5-7-13(20)8-6-12)15(11-21)19(23-16)25-2/h3-10H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-2-methoxy-6-(3-methoxy-2-pyridinyl)pyridine-3-carbonitrile?
4-(4-fluorophenyl)-2-methoxy-6-(3-methoxy-2-pyridinyl)pyridine-3-carbonitrile has a molecular weight of 335.34 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methoxy-6-(3-methoxy-2-pyridinyl)pyridine-3-carbonitrile is sourced from PubChem (CID 154644718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).