2-(3-bromo-2-pyridinyl)-3-ethylpyridine

C12H11BrN2 — CID 167433763

IUPAC2-(3-bromo-2-pyridinyl)-3-ethylpyridine
SMILESCCc1cccnc1-c1ncccc1Br
InChIInChI=1S/C12H11BrN2/c1-2-9-5-3-7-14-11(9)12-10(13)6-4-8-15-12/h3-8H,2H2,1H3
InChIKeyPFWHRDAOKLIKQG-UHFFFAOYSA-N
MW263.14 g/mol
LogP3.47
Rot. Bonds2

About 2-(3-bromo-2-pyridinyl)-3-ethylpyridine

2-(3-bromo-2-pyridinyl)-3-ethylpyridine (PubChem CID 167433763) has the molecular formula C12H11BrN2 and a molecular weight of 263.14 g/mol. Its IUPAC name is 2-(3-bromo-2-pyridinyl)-3-ethylpyridine.

Molecular Properties

Compound Name2-(3-bromo-2-pyridinyl)-3-ethylpyridine
PubChem CID167433763
Molecular FormulaC12H11BrN2
Molecular Weight263.14 g/mol
Exact Mass262.01
IUPAC Name2-(3-bromo-2-pyridinyl)-3-ethylpyridine
SMILESCCc1cccnc1-c1ncccc1Br
InChIInChI=1S/C12H11BrN2/c1-2-9-5-3-7-14-11(9)12-10(13)6-4-8-15-12/h3-8H,2H2,1H3
InChIKeyPFWHRDAOKLIKQG-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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-pyridinyl)-3-ethylpyridine?
The IUPAC name of 2-(3-bromo-2-pyridinyl)-3-ethylpyridine (CID 167433763) is 2-(3-bromo-2-pyridinyl)-3-ethylpyridine.
What is the SMILES notation for 2-(3-bromo-2-pyridinyl)-3-ethylpyridine?
The canonical SMILES for 2-(3-bromo-2-pyridinyl)-3-ethylpyridine is CCc1cccnc1-c1ncccc1Br.
What is the InChIKey of 2-(3-bromo-2-pyridinyl)-3-ethylpyridine?
The InChIKey is PFWHRDAOKLIKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2/c1-2-9-5-3-7-14-11(9)12-10(13)6-4-8-15-12/h3-8H,2H2,1H3.
What are the key properties of 2-(3-bromo-2-pyridinyl)-3-ethylpyridine?
2-(3-bromo-2-pyridinyl)-3-ethylpyridine 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-(3-bromo-2-pyridinyl)-3-ethylpyridine is sourced from PubChem (CID 167433763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).