5-bromo-3,4-dimethoxy-2-pyridin-2-ylpyridine

C12H11BrN2O2 — CID 10827679

IUPAC5-bromo-3,4-dimethoxy-2-pyridin-2-ylpyridine
SMILESCOc1c(Br)cnc(-c2ccccn2)c1OC
InChIInChI=1S/C12H11BrN2O2/c1-16-11-8(13)7-15-10(12(11)17-2)9-5-3-4-6-14-9/h3-7H,1-2H3
InChIKeyNMFGHXRJTFUPRU-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.92
Rot. Bonds3

About 5-bromo-3,4-dimethoxy-2-pyridin-2-ylpyridine

5-bromo-3,4-dimethoxy-2-pyridin-2-ylpyridine (PubChem CID 10827679) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 5-bromo-3,4-dimethoxy-2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name5-bromo-3,4-dimethoxy-2-pyridin-2-ylpyridine
PubChem CID10827679
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name5-bromo-3,4-dimethoxy-2-pyridin-2-ylpyridine
SMILESCOc1c(Br)cnc(-c2ccccn2)c1OC
InChIInChI=1S/C12H11BrN2O2/c1-16-11-8(13)7-15-10(12(11)17-2)9-5-3-4-6-14-9/h3-7H,1-2H3
InChIKeyNMFGHXRJTFUPRU-UHFFFAOYSA-N
XLogP2.92
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,4-dimethoxy-2-pyridin-2-ylpyridine?
The IUPAC name of 5-bromo-3,4-dimethoxy-2-pyridin-2-ylpyridine (CID 10827679) is 5-bromo-3,4-dimethoxy-2-pyridin-2-ylpyridine.
What is the SMILES notation for 5-bromo-3,4-dimethoxy-2-pyridin-2-ylpyridine?
The canonical SMILES for 5-bromo-3,4-dimethoxy-2-pyridin-2-ylpyridine is COc1c(Br)cnc(-c2ccccn2)c1OC.
What is the InChIKey of 5-bromo-3,4-dimethoxy-2-pyridin-2-ylpyridine?
The InChIKey is NMFGHXRJTFUPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-16-11-8(13)7-15-10(12(11)17-2)9-5-3-4-6-14-9/h3-7H,1-2H3.
What are the key properties of 5-bromo-3,4-dimethoxy-2-pyridin-2-ylpyridine?
5-bromo-3,4-dimethoxy-2-pyridin-2-ylpyridine has a molecular weight of 295.14 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,4-dimethoxy-2-pyridin-2-ylpyridine is sourced from PubChem (CID 10827679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).