7-[(5-bromo-3-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptane

C12H15BrN2 — CID 130956415

IUPAC7-[(5-bromo-3-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptane
SMILESBrc1cncc(CN2C3CCC2CC3)c1
InChIInChI=1S/C12H15BrN2/c13-10-5-9(6-14-7-10)8-15-11-1-2-12(15)4-3-11/h5-7,11-12H,1-4,8H2
InChIKeyIXSLYGWCNPMXSO-UHFFFAOYSA-N
MW267.17 g/mol
LogP2.97
Rot. Bonds2

About 7-[(5-bromo-3-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptane

7-[(5-bromo-3-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptane (PubChem CID 130956415) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 7-[(5-bromo-3-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-[(5-bromo-3-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptane
PubChem CID130956415
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name7-[(5-bromo-3-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptane
SMILESBrc1cncc(CN2C3CCC2CC3)c1
InChIInChI=1S/C12H15BrN2/c13-10-5-9(6-14-7-10)8-15-11-1-2-12(15)4-3-11/h5-7,11-12H,1-4,8H2
InChIKeyIXSLYGWCNPMXSO-UHFFFAOYSA-N
XLogP2.97
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-[(2,6-dimethylpiperidin-1-yl)methyl]pyridine
CID 115618842
6-benzyl-3-[(5-bromo-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 172906024
[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-yl]methanamine
CID 115741520
3-bromo-5-[(3-methoxyazetidin-1-yl)methyl]pyridine
CID 130159726
1-[(5-bromo-3-pyridinyl)methyl]pyrrolidine-2-carbonitrile
CID 104797256
[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 115741342
3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine
CID 115593313
1-[(5-bromo-3-pyridinyl)methyl]azocane
CID 115580857
N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 104798204
3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine
CID 115630376
3-bromo-5-[[3-(fluoromethyl)azetidin-1-yl]methyl]pyridine
CID 171993882
1-[(5-bromo-3-pyridinyl)methyl]-3-methylpiperazine-2,5-dione
CID 113456029

Frequently Asked Questions

What is the IUPAC name of 7-[(5-bromo-3-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 7-[(5-bromo-3-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptane (CID 130956415) is 7-[(5-bromo-3-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 7-[(5-bromo-3-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 7-[(5-bromo-3-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptane is Brc1cncc(CN2C3CCC2CC3)c1.
What is the InChIKey of 7-[(5-bromo-3-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptane?
The InChIKey is IXSLYGWCNPMXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c13-10-5-9(6-14-7-10)8-15-11-1-2-12(15)4-3-11/h5-7,11-12H,1-4,8H2.
What are the key properties of 7-[(5-bromo-3-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptane?
7-[(5-bromo-3-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptane has a molecular weight of 267.17 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-bromo-3-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 130956415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).