6-deuterio-3,4-dimethoxy-2-pyridin-2-ylpyridine

C12H12N2O2 — CID 10680279

IUPAC6-deuterio-3,4-dimethoxy-2-pyridin-2-ylpyridine
SMILES[2H]c1cc(OC)c(OC)c(-c2ccccn2)n1
InChIInChI=1S/C12H12N2O2/c1-15-10-6-8-14-11(12(10)16-2)9-5-3-4-7-13-9/h3-8H,1-2H3/i8D
InChIKeyGWCJKCRIXOCARP-BNEYPBHNSA-N
MW217.25 g/mol
LogP2.16
Rot. Bonds3

About 6-deuterio-3,4-dimethoxy-2-pyridin-2-ylpyridine

6-deuterio-3,4-dimethoxy-2-pyridin-2-ylpyridine (PubChem CID 10680279) has the molecular formula C12H12N2O2 and a molecular weight of 217.25 g/mol. Its IUPAC name is 6-deuterio-3,4-dimethoxy-2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name6-deuterio-3,4-dimethoxy-2-pyridin-2-ylpyridine
PubChem CID10680279
Molecular FormulaC12H12N2O2
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name6-deuterio-3,4-dimethoxy-2-pyridin-2-ylpyridine
SMILES[2H]c1cc(OC)c(OC)c(-c2ccccn2)n1
InChIInChI=1S/C12H12N2O2/c1-15-10-6-8-14-11(12(10)16-2)9-5-3-4-7-13-9/h3-8H,1-2H3/i8D
InChIKeyGWCJKCRIXOCARP-BNEYPBHNSA-N
XLogP2.16
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-deuterio-3,4-dimethoxy-2-pyridin-2-ylpyridine?
The IUPAC name of 6-deuterio-3,4-dimethoxy-2-pyridin-2-ylpyridine (CID 10680279) is 6-deuterio-3,4-dimethoxy-2-pyridin-2-ylpyridine.
What is the SMILES notation for 6-deuterio-3,4-dimethoxy-2-pyridin-2-ylpyridine?
The canonical SMILES for 6-deuterio-3,4-dimethoxy-2-pyridin-2-ylpyridine is [2H]c1cc(OC)c(OC)c(-c2ccccn2)n1.
What is the InChIKey of 6-deuterio-3,4-dimethoxy-2-pyridin-2-ylpyridine?
The InChIKey is GWCJKCRIXOCARP-BNEYPBHNSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-15-10-6-8-14-11(12(10)16-2)9-5-3-4-7-13-9/h3-8H,1-2H3/i8D.
What are the key properties of 6-deuterio-3,4-dimethoxy-2-pyridin-2-ylpyridine?
6-deuterio-3,4-dimethoxy-2-pyridin-2-ylpyridine has a molecular weight of 217.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-deuterio-3,4-dimethoxy-2-pyridin-2-ylpyridine is sourced from PubChem (CID 10680279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).