2-(azetidin-1-ylmethyl)-5-bromopyridine

C9H11BrN2 — CID 105484340

IUPAC2-(azetidin-1-ylmethyl)-5-bromopyridine
SMILESBrc1ccc(CN2CCC2)nc1
InChIInChI=1S/C9H11BrN2/c10-8-2-3-9(11-6-8)7-12-4-1-5-12/h2-3,6H,1,4-5,7H2
InChIKeyJBPYNSNKDSSYSX-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.05
Rot. Bonds2

About 2-(azetidin-1-ylmethyl)-5-bromopyridine

2-(azetidin-1-ylmethyl)-5-bromopyridine (PubChem CID 105484340) has the molecular formula C9H11BrN2 and a molecular weight of 227.10 g/mol. Its IUPAC name is 2-(azetidin-1-ylmethyl)-5-bromopyridine.

Molecular Properties

Compound Name2-(azetidin-1-ylmethyl)-5-bromopyridine
PubChem CID105484340
Molecular FormulaC9H11BrN2
Molecular Weight227.10 g/mol
Exact Mass226.01
IUPAC Name2-(azetidin-1-ylmethyl)-5-bromopyridine
SMILESBrc1ccc(CN2CCC2)nc1
InChIInChI=1S/C9H11BrN2/c10-8-2-3-9(11-6-8)7-12-4-1-5-12/h2-3,6H,1,4-5,7H2
InChIKeyJBPYNSNKDSSYSX-UHFFFAOYSA-N
XLogP2.05
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromo-2-pyridinyl)methyl]-1,4-diazepane
CID 115741251
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine
CID 23438151
5-bromo-2-[(4-fluoropiperidin-1-yl)methyl]pyridine
CID 164659359
5-bromo-2-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 133302563
5-bromo-2-(bromomethyl)pyridine;1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine
CID 158558565
[1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methanol
CID 115622436
N-[[1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 104798203
5-bromo-2-(3-pyrrolidin-1-ylpropyl)pyridine
CID 58234518
5-bromo-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 113234614
5-bromo-2-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyridine
CID 115666089
1-[(5-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 115622557
1-[(5-bromo-2-pyridinyl)methyl]-3-methyl-1,3-diazinan-2-one
CID 171846505

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-ylmethyl)-5-bromopyridine?
The IUPAC name of 2-(azetidin-1-ylmethyl)-5-bromopyridine (CID 105484340) is 2-(azetidin-1-ylmethyl)-5-bromopyridine.
What is the SMILES notation for 2-(azetidin-1-ylmethyl)-5-bromopyridine?
The canonical SMILES for 2-(azetidin-1-ylmethyl)-5-bromopyridine is Brc1ccc(CN2CCC2)nc1.
What is the InChIKey of 2-(azetidin-1-ylmethyl)-5-bromopyridine?
The InChIKey is JBPYNSNKDSSYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2/c10-8-2-3-9(11-6-8)7-12-4-1-5-12/h2-3,6H,1,4-5,7H2.
What are the key properties of 2-(azetidin-1-ylmethyl)-5-bromopyridine?
2-(azetidin-1-ylmethyl)-5-bromopyridine has a molecular weight of 227.10 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-ylmethyl)-5-bromopyridine is sourced from PubChem (CID 105484340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).