1-[(5-bromo-3-pyridinyl)methyl]azocane

C13H19BrN2 — CID 115580857

IUPAC1-[(5-bromo-3-pyridinyl)methyl]azocane
SMILESBrc1cncc(CN2CCCCCCC2)c1
InChIInChI=1S/C13H19BrN2/c14-13-8-12(9-15-10-13)11-16-6-4-2-1-3-5-7-16/h8-10H,1-7,11H2
InChIKeyORVNDOMNACIKQL-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.61
Rot. Bonds2

About 1-[(5-bromo-3-pyridinyl)methyl]azocane

1-[(5-bromo-3-pyridinyl)methyl]azocane (PubChem CID 115580857) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)methyl]azocane.

Molecular Properties

Compound Name1-[(5-bromo-3-pyridinyl)methyl]azocane
PubChem CID115580857
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-[(5-bromo-3-pyridinyl)methyl]azocane
SMILESBrc1cncc(CN2CCCCCCC2)c1
InChIInChI=1S/C13H19BrN2/c14-13-8-12(9-15-10-13)11-16-6-4-2-1-3-5-7-16/h8-10H,1-7,11H2
InChIKeyORVNDOMNACIKQL-UHFFFAOYSA-N
XLogP3.61
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromoethyl)-4-[(5-bromo-3-pyridinyl)methyl]piperazine
CID 104811250
2-[(5-bromo-3-pyridinyl)methyl]thiazinane
CID 123820723
2-[(5-bromo-3-pyridinyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine
CID 115617285
3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine
CID 115630376
1-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 115609180
3-ethyl-5-(pyrrolidin-1-ylmethyl)pyridine
CID 89167952
2-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-3-yl]ethanamine
CID 104800887
1-[(5-bromo-3-pyridinyl)methyl]-3-cyclopropyl-1,4-diazepane
CID 113456021
N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 104798204
3-bromo-5-[[3-(fluoromethyl)azetidin-1-yl]methyl]pyridine
CID 171993882
[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 115741359
3-bromo-5-[(3-methoxyazetidin-1-yl)methyl]pyridine
CID 130159726

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]azocane?
The IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]azocane (CID 115580857) is 1-[(5-bromo-3-pyridinyl)methyl]azocane.
What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)methyl]azocane?
The canonical SMILES for 1-[(5-bromo-3-pyridinyl)methyl]azocane is Brc1cncc(CN2CCCCCCC2)c1.
What is the InChIKey of 1-[(5-bromo-3-pyridinyl)methyl]azocane?
The InChIKey is ORVNDOMNACIKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c14-13-8-12(9-15-10-13)11-16-6-4-2-1-3-5-7-16/h8-10H,1-7,11H2.
What are the key properties of 1-[(5-bromo-3-pyridinyl)methyl]azocane?
1-[(5-bromo-3-pyridinyl)methyl]azocane has a molecular weight of 283.21 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-pyridinyl)methyl]azocane is sourced from PubChem (CID 115580857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).