4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine)

C32H28N6O2 — CID 67748303

IUPAC4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine)
SMILESCOc1ccnc(-c2cc(OC)ccn2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C12H12N2O2.2C10H8N2/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10/h3-8H,1-2H3;2*1-8H
InChIKeyXDYOUADWCDONEW-UHFFFAOYSA-N
MW528.62 g/mol
LogP6.45
Rot. Bonds5

About 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine)

4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine) (PubChem CID 67748303) has the molecular formula C32H28N6O2 and a molecular weight of 528.62 g/mol. Its IUPAC name is 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine).

Molecular Properties

Compound Name4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine)
PubChem CID67748303
Molecular FormulaC32H28N6O2
Molecular Weight528.62 g/mol
Exact Mass528.23
IUPAC Name4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine)
SMILESCOc1ccnc(-c2cc(OC)ccn2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C12H12N2O2.2C10H8N2/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10/h3-8H,1-2H3;2*1-8H
InChIKeyXDYOUADWCDONEW-UHFFFAOYSA-N
XLogP6.45
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.62
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine)?
The IUPAC name of 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine) (CID 67748303) is 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine).
What is the SMILES notation for 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine)?
The canonical SMILES for 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine) is COc1ccnc(-c2cc(OC)ccn2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine)?
The InChIKey is XDYOUADWCDONEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2.2C10H8N2/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10/h3-8H,1-2H3;2*1-8H.
What are the key properties of 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine)?
4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine) has a molecular weight of 528.62 g/mol, XLogP of 6.45, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 67748303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).