3-bromo-2-(2-ethylpyrrolidin-1-yl)-4-methylpyridine

C12H17BrN2 — CID 106876417

IUPAC3-bromo-2-(2-ethylpyrrolidin-1-yl)-4-methylpyridine
SMILESCCC1CCCN1c1nccc(C)c1Br
InChIInChI=1S/C12H17BrN2/c1-3-10-5-4-8-15(10)12-11(13)9(2)6-7-14-12/h6-7,10H,3-5,8H2,1-2H3
InChIKeyKLXKZTXCVLPPEX-UHFFFAOYSA-N
MW269.19 g/mol
LogP3.53
Rot. Bonds2

About 3-bromo-2-(2-ethylpyrrolidin-1-yl)-4-methylpyridine

3-bromo-2-(2-ethylpyrrolidin-1-yl)-4-methylpyridine (PubChem CID 106876417) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 3-bromo-2-(2-ethylpyrrolidin-1-yl)-4-methylpyridine.

Molecular Properties

Compound Name3-bromo-2-(2-ethylpyrrolidin-1-yl)-4-methylpyridine
PubChem CID106876417
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name3-bromo-2-(2-ethylpyrrolidin-1-yl)-4-methylpyridine
SMILESCCC1CCCN1c1nccc(C)c1Br
InChIInChI=1S/C12H17BrN2/c1-3-10-5-4-8-15(10)12-11(13)9(2)6-7-14-12/h6-7,10H,3-5,8H2,1-2H3
InChIKeyKLXKZTXCVLPPEX-UHFFFAOYSA-N
XLogP3.53
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2-ethylpyrrolidin-1-yl)-4-methylpyridine?
The IUPAC name of 3-bromo-2-(2-ethylpyrrolidin-1-yl)-4-methylpyridine (CID 106876417) is 3-bromo-2-(2-ethylpyrrolidin-1-yl)-4-methylpyridine.
What is the SMILES notation for 3-bromo-2-(2-ethylpyrrolidin-1-yl)-4-methylpyridine?
The canonical SMILES for 3-bromo-2-(2-ethylpyrrolidin-1-yl)-4-methylpyridine is CCC1CCCN1c1nccc(C)c1Br.
What is the InChIKey of 3-bromo-2-(2-ethylpyrrolidin-1-yl)-4-methylpyridine?
The InChIKey is KLXKZTXCVLPPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-3-10-5-4-8-15(10)12-11(13)9(2)6-7-14-12/h6-7,10H,3-5,8H2,1-2H3.
What are the key properties of 3-bromo-2-(2-ethylpyrrolidin-1-yl)-4-methylpyridine?
3-bromo-2-(2-ethylpyrrolidin-1-yl)-4-methylpyridine has a molecular weight of 269.19 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2-ethylpyrrolidin-1-yl)-4-methylpyridine is sourced from PubChem (CID 106876417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).