5-bromo-3-chloro-2-(2-ethylpyrrolidin-1-yl)pyridine

C11H14BrClN2 — CID 103583016

IUPAC5-bromo-3-chloro-2-(2-ethylpyrrolidin-1-yl)pyridine
SMILESCCC1CCCN1c1ncc(Br)cc1Cl
InChIInChI=1S/C11H14BrClN2/c1-2-9-4-3-5-15(9)11-10(13)6-8(12)7-14-11/h6-7,9H,2-5H2,1H3
InChIKeyXTDUTTQCFXLRLR-UHFFFAOYSA-N
MW289.60 g/mol
LogP3.88
Rot. Bonds2

About 5-bromo-3-chloro-2-(2-ethylpyrrolidin-1-yl)pyridine

5-bromo-3-chloro-2-(2-ethylpyrrolidin-1-yl)pyridine (PubChem CID 103583016) has the molecular formula C11H14BrClN2 and a molecular weight of 289.60 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-(2-ethylpyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name5-bromo-3-chloro-2-(2-ethylpyrrolidin-1-yl)pyridine
PubChem CID103583016
Molecular FormulaC11H14BrClN2
Molecular Weight289.60 g/mol
Exact Mass288.00
IUPAC Name5-bromo-3-chloro-2-(2-ethylpyrrolidin-1-yl)pyridine
SMILESCCC1CCCN1c1ncc(Br)cc1Cl
InChIInChI=1S/C11H14BrClN2/c1-2-9-4-3-5-15(9)11-10(13)6-8(12)7-14-11/h6-7,9H,2-5H2,1H3
InChIKeyXTDUTTQCFXLRLR-UHFFFAOYSA-N
XLogP3.88
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[5-chloro-6-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 62299264
[5-chloro-6-(2-ethylazepan-1-yl)-3-pyridinyl]methanol
CID 104691283
5-chloro-6-(2-ethylazepan-1-yl)pyridine-3-carboxylic acid
CID 104690120
ethyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 103583949
4-(5-bromo-3-chloro-2-pyridinyl)-5-ethyl-2-methylmorpholine
CID 103583164
1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 103583251
3-bromo-5-(2-ethylpyrrolidin-1-yl)pyridine
CID 104531587
5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-methylpyridine
CID 79718453
3,5-dichloro-6-(2-ethylpyrrolidin-1-yl)-N-methylpyridin-2-amine
CID 102756425
N-[[4-(5-bromo-3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
CID 103584045
2-chloro-4-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidine
CID 79075237
6-(2-ethylpyrrolidin-1-yl)-5-methylpyridin-3-amine
CID 62476384

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-(2-ethylpyrrolidin-1-yl)pyridine?
The IUPAC name of 5-bromo-3-chloro-2-(2-ethylpyrrolidin-1-yl)pyridine (CID 103583016) is 5-bromo-3-chloro-2-(2-ethylpyrrolidin-1-yl)pyridine.
What is the SMILES notation for 5-bromo-3-chloro-2-(2-ethylpyrrolidin-1-yl)pyridine?
The canonical SMILES for 5-bromo-3-chloro-2-(2-ethylpyrrolidin-1-yl)pyridine is CCC1CCCN1c1ncc(Br)cc1Cl.
What is the InChIKey of 5-bromo-3-chloro-2-(2-ethylpyrrolidin-1-yl)pyridine?
The InChIKey is XTDUTTQCFXLRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2/c1-2-9-4-3-5-15(9)11-10(13)6-8(12)7-14-11/h6-7,9H,2-5H2,1H3.
What are the key properties of 5-bromo-3-chloro-2-(2-ethylpyrrolidin-1-yl)pyridine?
5-bromo-3-chloro-2-(2-ethylpyrrolidin-1-yl)pyridine has a molecular weight of 289.60 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-(2-ethylpyrrolidin-1-yl)pyridine is sourced from PubChem (CID 103583016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).