3-bromo-5-methyl-2-(2-pyrrolidin-1-ylethyl)pyridine

C12H17BrN2 — CID 83920354

IUPAC3-bromo-5-methyl-2-(2-pyrrolidin-1-ylethyl)pyridine
SMILESCc1cnc(CCN2CCCC2)c(Br)c1
InChIInChI=1S/C12H17BrN2/c1-10-8-11(13)12(14-9-10)4-7-15-5-2-3-6-15/h8-9H,2-7H2,1H3
InChIKeyIYDIMYDUUBQIAD-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.79
Rot. Bonds3

About 3-bromo-5-methyl-2-(2-pyrrolidin-1-ylethyl)pyridine

3-bromo-5-methyl-2-(2-pyrrolidin-1-ylethyl)pyridine (PubChem CID 83920354) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 3-bromo-5-methyl-2-(2-pyrrolidin-1-ylethyl)pyridine.

Molecular Properties

Compound Name3-bromo-5-methyl-2-(2-pyrrolidin-1-ylethyl)pyridine
PubChem CID83920354
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name3-bromo-5-methyl-2-(2-pyrrolidin-1-ylethyl)pyridine
SMILESCc1cnc(CCN2CCCC2)c(Br)c1
InChIInChI=1S/C12H17BrN2/c1-10-8-11(13)12(14-9-10)4-7-15-5-2-3-6-15/h8-9H,2-7H2,1H3
InChIKeyIYDIMYDUUBQIAD-UHFFFAOYSA-N
XLogP2.79
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-(2-pyrrolidin-1-ylethyl)pyridine
CID 83919940
3-bromo-2-(cyclohexylmethyl)-5-methylpyridine
CID 83920300
2-[4-(3-bromo-5-methyl-2-pyridinyl)piperazin-1-yl]ethanamine
CID 82167516
5-methyl-2-(2-pyrrolidin-1-ylethoxy)pyridin-3-amine
CID 66279790
1-[3-(2-bromo-4-methylphenoxy)propyl]pyrrolidine
CID 2299479
2-bromo-5-(2-pyrrolidin-1-ylethyl)pyridine
CID 87702483
1-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]pyrrolidine
CID 2299454
5-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,3-diamine
CID 82057653
3-bromo-5-methyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 105366766
2-bromo-4-methyl-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 54960857
1-methyl-3-(2-pyrrolidin-1-ylethyl)pyrazol-4-amine
CID 83818500
1-[2-(2-bromo-4-methylphenoxy)ethyl]piperidine;oxalic acid
CID 16614087

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-2-(2-pyrrolidin-1-ylethyl)pyridine?
The IUPAC name of 3-bromo-5-methyl-2-(2-pyrrolidin-1-ylethyl)pyridine (CID 83920354) is 3-bromo-5-methyl-2-(2-pyrrolidin-1-ylethyl)pyridine.
What is the SMILES notation for 3-bromo-5-methyl-2-(2-pyrrolidin-1-ylethyl)pyridine?
The canonical SMILES for 3-bromo-5-methyl-2-(2-pyrrolidin-1-ylethyl)pyridine is Cc1cnc(CCN2CCCC2)c(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-2-(2-pyrrolidin-1-ylethyl)pyridine?
The InChIKey is IYDIMYDUUBQIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-10-8-11(13)12(14-9-10)4-7-15-5-2-3-6-15/h8-9H,2-7H2,1H3.
What are the key properties of 3-bromo-5-methyl-2-(2-pyrrolidin-1-ylethyl)pyridine?
3-bromo-5-methyl-2-(2-pyrrolidin-1-ylethyl)pyridine has a molecular weight of 269.19 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-2-(2-pyrrolidin-1-ylethyl)pyridine is sourced from PubChem (CID 83920354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).