2-bromo-3-ethyl-6-pyridin-3-ylpyridine

C12H11BrN2 — CID 175213235

IUPAC2-bromo-3-ethyl-6-pyridin-3-ylpyridine
SMILESCCc1ccc(-c2cccnc2)nc1Br
InChIInChI=1S/C12H11BrN2/c1-2-9-5-6-11(15-12(9)13)10-4-3-7-14-8-10/h3-8H,2H2,1H3
InChIKeyQOVNKAXYVIQGLV-UHFFFAOYSA-N
MW263.14 g/mol
LogP3.47
Rot. Bonds2

About 2-bromo-3-ethyl-6-pyridin-3-ylpyridine

2-bromo-3-ethyl-6-pyridin-3-ylpyridine (PubChem CID 175213235) has the molecular formula C12H11BrN2 and a molecular weight of 263.14 g/mol. Its IUPAC name is 2-bromo-3-ethyl-6-pyridin-3-ylpyridine.

Molecular Properties

Compound Name2-bromo-3-ethyl-6-pyridin-3-ylpyridine
PubChem CID175213235
Molecular FormulaC12H11BrN2
Molecular Weight263.14 g/mol
Exact Mass262.01
IUPAC Name2-bromo-3-ethyl-6-pyridin-3-ylpyridine
SMILESCCc1ccc(-c2cccnc2)nc1Br
InChIInChI=1S/C12H11BrN2/c1-2-9-5-6-11(15-12(9)13)10-4-3-7-14-8-10/h3-8H,2H2,1H3
InChIKeyQOVNKAXYVIQGLV-UHFFFAOYSA-N
XLogP3.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-dipyridin-3-ylpyridine
CID 13349632
2-methyl-6-pyridin-3-ylpyridine;propane
CID 144615785
3-bromo-5-pyridin-3-ylpyrazin-2-amine
CID 139409463
2-propan-2-yl-6-pyridin-3-ylpyridine
CID 118124535
ethane;5-ethyl-3-pyridin-3-yl-1,2-oxazole
CID 143675921
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
3-methyl-1-(4-pyridin-3-ylpyrimidin-2-yl)butan-2-one
CID 157428636
ethane;2-methyl-6-pyridin-3-ylpyridine
CID 144687863
8-methyl-2-pyridin-3-ylquinoline
CID 125496977
3-bromo-4-ethylpyridine
CID 13160533
5-bromo-8-methoxy-2-pyridin-3-ylquinoline
CID 18979081
ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
CID 112561966

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-ethyl-6-pyridin-3-ylpyridine?
The IUPAC name of 2-bromo-3-ethyl-6-pyridin-3-ylpyridine (CID 175213235) is 2-bromo-3-ethyl-6-pyridin-3-ylpyridine.
What is the SMILES notation for 2-bromo-3-ethyl-6-pyridin-3-ylpyridine?
The canonical SMILES for 2-bromo-3-ethyl-6-pyridin-3-ylpyridine is CCc1ccc(-c2cccnc2)nc1Br.
What is the InChIKey of 2-bromo-3-ethyl-6-pyridin-3-ylpyridine?
The InChIKey is QOVNKAXYVIQGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2/c1-2-9-5-6-11(15-12(9)13)10-4-3-7-14-8-10/h3-8H,2H2,1H3.
What are the key properties of 2-bromo-3-ethyl-6-pyridin-3-ylpyridine?
2-bromo-3-ethyl-6-pyridin-3-ylpyridine has a molecular weight of 263.14 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-ethyl-6-pyridin-3-ylpyridine is sourced from PubChem (CID 175213235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).