5-bromo-2-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-4-methylpyridine

C14H18BrN3 — CID 133403306

IUPAC5-bromo-2-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-4-methylpyridine
SMILESCc1cc(N2CCC(N3CC=CC3)C2)ncc1Br
InChIInChI=1S/C14H18BrN3/c1-11-8-14(16-9-13(11)15)18-7-4-12(10-18)17-5-2-3-6-17/h2-3,8-9,12H,4-7,10H2,1H3
InChIKeyKVSTVIVAJYAQMI-UHFFFAOYSA-N
MW308.22 g/mol
LogP2.60
Rot. Bonds2

About 5-bromo-2-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-4-methylpyridine

5-bromo-2-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-4-methylpyridine (PubChem CID 133403306) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 5-bromo-2-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-4-methylpyridine.

Molecular Properties

Compound Name5-bromo-2-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-4-methylpyridine
PubChem CID133403306
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name5-bromo-2-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-4-methylpyridine
SMILESCc1cc(N2CCC(N3CC=CC3)C2)ncc1Br
InChIInChI=1S/C14H18BrN3/c1-11-8-14(16-9-13(11)15)18-7-4-12(10-18)17-5-2-3-6-17/h2-3,8-9,12H,4-7,10H2,1H3
InChIKeyKVSTVIVAJYAQMI-UHFFFAOYSA-N
XLogP2.60
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-4-methyl-2-pyridinyl)-3-methylpiperidin-4-amine
CID 114869588
1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine
CID 114869616
1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]ethanone
CID 114869038
5-bromo-2-(3-chloropiperidin-1-yl)-4-methylpyridine
CID 114869912
[(3S)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamic acid
CID 135345504
5-bromo-2-[4-(1-bromoethyl)piperidin-1-yl]-4-methylpyridine
CID 106838653
1-(5-bromo-4-methyl-2-pyridinyl)azepane
CID 53408181
1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine
CID 107110322
5-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridin-4-amine
CID 83265929
4-(5-bromo-4-methyl-2-pyridinyl)-1,4-thiazinane 1-oxide
CID 115774067
4-(5-bromo-4-methyl-2-pyridinyl)thiomorpholine
CID 115773933
N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine
CID 114869508

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-4-methylpyridine?
The IUPAC name of 5-bromo-2-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-4-methylpyridine (CID 133403306) is 5-bromo-2-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-4-methylpyridine.
What is the SMILES notation for 5-bromo-2-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-4-methylpyridine?
The canonical SMILES for 5-bromo-2-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-4-methylpyridine is Cc1cc(N2CCC(N3CC=CC3)C2)ncc1Br.
What is the InChIKey of 5-bromo-2-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-4-methylpyridine?
The InChIKey is KVSTVIVAJYAQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-11-8-14(16-9-13(11)15)18-7-4-12(10-18)17-5-2-3-6-17/h2-3,8-9,12H,4-7,10H2,1H3.
What are the key properties of 5-bromo-2-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-4-methylpyridine?
5-bromo-2-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-4-methylpyridine has a molecular weight of 308.22 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-4-methylpyridine is sourced from PubChem (CID 133403306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).