2-[4-(4-methoxyphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine

C22H17N3O — CID 4105676

IUPAC2-[4-(4-methoxyphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine
SMILESCOc1ccc(-c2ccnc(-c3cccc(-c4ccccn4)n3)c2)cc1
InChIInChI=1S/C22H17N3O/c1-26-18-10-8-16(9-11-18)17-12-14-24-22(15-17)21-7-4-6-20(25-21)19-5-2-3-13-23-19/h2-15H,1H3
InChIKeyZHXIQRCVHOESNK-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.88
Rot. Bonds4

About 2-[4-(4-methoxyphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine

2-[4-(4-methoxyphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine (PubChem CID 4105676) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine
PubChem CID4105676
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name2-[4-(4-methoxyphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine
SMILESCOc1ccc(-c2ccnc(-c3cccc(-c4ccccn4)n3)c2)cc1
InChIInChI=1S/C22H17N3O/c1-26-18-10-8-16(9-11-18)17-12-14-24-22(15-17)21-7-4-6-20(25-21)19-5-2-3-13-23-19/h2-15H,1H3
InChIKeyZHXIQRCVHOESNK-UHFFFAOYSA-N
XLogP4.88
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine?
The IUPAC name of 2-[4-(4-methoxyphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine (CID 4105676) is 2-[4-(4-methoxyphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine is COc1ccc(-c2ccnc(-c3cccc(-c4ccccn4)n3)c2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine?
The InChIKey is ZHXIQRCVHOESNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c1-26-18-10-8-16(9-11-18)17-12-14-24-22(15-17)21-7-4-6-20(25-21)19-5-2-3-13-23-19/h2-15H,1H3.
What are the key properties of 2-[4-(4-methoxyphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine?
2-[4-(4-methoxyphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine has a molecular weight of 339.40 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine is sourced from PubChem (CID 4105676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).