5-bromo-2-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-4-methylpyridine

C12H16Br2N2 — CID 102786240

IUPAC5-bromo-2-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-4-methylpyridine
SMILESCc1cc(N2CCC(C)C2CBr)ncc1Br
InChIInChI=1S/C12H16Br2N2/c1-8-3-4-16(11(8)6-13)12-5-9(2)10(14)7-15-12/h5,7-8,11H,3-4,6H2,1-2H3
InChIKeyNQIXZSAXDHHKSP-UHFFFAOYSA-N
MW348.08 g/mol
LogP3.76
Rot. Bonds2

About 5-bromo-2-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-4-methylpyridine

5-bromo-2-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-4-methylpyridine (PubChem CID 102786240) has the molecular formula C12H16Br2N2 and a molecular weight of 348.08 g/mol. Its IUPAC name is 5-bromo-2-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-4-methylpyridine.

Molecular Properties

Compound Name5-bromo-2-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-4-methylpyridine
PubChem CID102786240
Molecular FormulaC12H16Br2N2
Molecular Weight348.08 g/mol
Exact Mass345.97
IUPAC Name5-bromo-2-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-4-methylpyridine
SMILESCc1cc(N2CCC(C)C2CBr)ncc1Br
InChIInChI=1S/C12H16Br2N2/c1-8-3-4-16(11(8)6-13)12-5-9(2)10(14)7-15-12/h5,7-8,11H,3-4,6H2,1-2H3
InChIKeyNQIXZSAXDHHKSP-UHFFFAOYSA-N
XLogP3.76
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.08
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-2,3-dimethylpyrazine
CID 102786337
1-(5-bromo-4-methyl-2-pyridinyl)-2-methylazepane
CID 114870444
1-(5-bromo-4-methyl-2-pyridinyl)-3-methylpiperidin-4-amine
CID 114869588
1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 114869612
1-(5-bromo-4-methyl-2-pyridinyl)azepane
CID 53408181
5-bromo-2-[4-(2-methoxyethoxy)piperidin-1-yl]-4-methylpyridine
CID 133448525
(2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965092
1-(5-bromo-4-methyl-2-pyridinyl)-4-ethylpiperazine
CID 115773789
5-bromo-2-[4-(1-bromoethyl)piperidin-1-yl]-4-methylpyridine
CID 106838653
1-(5-bromo-4-methyl-2-pyridinyl)-4-(2-methylpropyl)piperazine
CID 115773841
[1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanamine
CID 102784195
4-(5-bromo-4-methyl-2-pyridinyl)thiomorpholine
CID 115773933

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-4-methylpyridine?
The IUPAC name of 5-bromo-2-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-4-methylpyridine (CID 102786240) is 5-bromo-2-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-4-methylpyridine.
What is the SMILES notation for 5-bromo-2-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-4-methylpyridine?
The canonical SMILES for 5-bromo-2-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-4-methylpyridine is Cc1cc(N2CCC(C)C2CBr)ncc1Br.
What is the InChIKey of 5-bromo-2-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-4-methylpyridine?
The InChIKey is NQIXZSAXDHHKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2/c1-8-3-4-16(11(8)6-13)12-5-9(2)10(14)7-15-12/h5,7-8,11H,3-4,6H2,1-2H3.
What are the key properties of 5-bromo-2-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-4-methylpyridine?
5-bromo-2-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-4-methylpyridine has a molecular weight of 348.08 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-4-methylpyridine is sourced from PubChem (CID 102786240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).