2-(4-Methoxyphenoxy)-4-phenylpyridine-3-carbonitrile

C19H14N2O2 — CID 1487474

IUPAC2-(4-methoxyphenoxy)-4-phenylpyridine-3-carbonitrile
SMILESCOC1=CC=C(C=C1)OC2=NC=CC(=C2C#N)C3=CC=CC=C3
InChIInChI=1S/C19H14N2O2/c1-22-15-7-9-16(10-8-15)23-19-18(13-20)17(11-12-21-19)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyWFCBYUPGMLGUDD-UHFFFAOYSA-N
MW302.30 g/mol
LogP4.00
Rot. Bonds4

About 2-(4-Methoxyphenoxy)-4-phenylpyridine-3-carbonitrile

2-(4-Methoxyphenoxy)-4-phenylpyridine-3-carbonitrile (PubChem CID 1487474) has the molecular formula C19H14N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-4-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-Methoxyphenoxy)-4-phenylpyridine-3-carbonitrile
PubChem CID1487474
Molecular FormulaC19H14N2O2
Molecular Weight302.30 g/mol
Exact Mass302.11
IUPAC Name2-(4-methoxyphenoxy)-4-phenylpyridine-3-carbonitrile
SMILESCOC1=CC=C(C=C1)OC2=NC=CC(=C2C#N)C3=CC=CC=C3
InChIInChI=1S/C19H14N2O2/c1-22-15-7-9-16(10-8-15)23-19-18(13-20)17(11-12-21-19)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyWFCBYUPGMLGUDD-UHFFFAOYSA-N
XLogP4.00
TPSA55.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity405

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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4-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
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Frequently Asked Questions

What is the IUPAC name of 2-(4-Methoxyphenoxy)-4-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-(4-Methoxyphenoxy)-4-phenylpyridine-3-carbonitrile (CID 1487474) is 2-(4-methoxyphenoxy)-4-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-Methoxyphenoxy)-4-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-(4-Methoxyphenoxy)-4-phenylpyridine-3-carbonitrile is COC1=CC=C(C=C1)OC2=NC=CC(=C2C#N)C3=CC=CC=C3.
What is the InChIKey of 2-(4-Methoxyphenoxy)-4-phenylpyridine-3-carbonitrile?
The InChIKey is WFCBYUPGMLGUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-22-15-7-9-16(10-8-15)23-19-18(13-20)17(11-12-21-19)14-5-3-2-4-6-14/h2-12H,1H3.
What are the key properties of 2-(4-Methoxyphenoxy)-4-phenylpyridine-3-carbonitrile?
2-(4-Methoxyphenoxy)-4-phenylpyridine-3-carbonitrile has a molecular weight of 302.30 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-Methoxyphenoxy)-4-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 1487474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).