2-(5-bromo-2-pyridinyl)-2-azabicyclo[2.1.1]hexan-5-amine

C10H12BrN3 — CID 131059633

IUPAC2-(5-bromo-2-pyridinyl)-2-azabicyclo[2.1.1]hexan-5-amine
SMILESNC1C2CC1N(c1ccc(Br)cn1)C2
InChIInChI=1S/C10H12BrN3/c11-7-1-2-9(13-4-7)14-5-6-3-8(14)10(6)12/h1-2,4,6,8,10H,3,5,12H2
InChIKeyILKWDKNMAKVMCW-UHFFFAOYSA-N
MW254.13 g/mol
LogP1.38
Rot. Bonds1

About 2-(5-bromo-2-pyridinyl)-2-azabicyclo[2.1.1]hexan-5-amine

2-(5-bromo-2-pyridinyl)-2-azabicyclo[2.1.1]hexan-5-amine (PubChem CID 131059633) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-2-azabicyclo[2.1.1]hexan-5-amine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-2-azabicyclo[2.1.1]hexan-5-amine
PubChem CID131059633
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name2-(5-bromo-2-pyridinyl)-2-azabicyclo[2.1.1]hexan-5-amine
SMILESNC1C2CC1N(c1ccc(Br)cn1)C2
InChIInChI=1S/C10H12BrN3/c11-7-1-2-9(13-4-7)14-5-6-3-8(14)10(6)12/h1-2,4,6,8,10H,3,5,12H2
InChIKeyILKWDKNMAKVMCW-UHFFFAOYSA-N
XLogP1.38
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-2-pyridinyl)-6-oxa-3-azabicyclo[3.1.1]heptane
CID 146270873
2-(5-bromo-2-pyridinyl)-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole
CID 155296393
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethanamine
CID 60869692
[1-(5-bromo-2-pyridinyl)azepan-2-yl]methanamine
CID 116640188
5-bromo-2-(2,5-dihydropyrrol-1-yl)pyridine
CID 23438624
2-(5-bromo-2-pyridinyl)-5-methylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 163355260
3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.2.1]octane-2,4-dione
CID 103551956
5-bromo-2-(3-methylpyrrolidin-1-yl)pyridine
CID 61374335
5-bromo-2-(1,5-dihydropyrazol-2-yl)pyridine
CID 70976833
1-(5-bromo-2-pyridinyl)azocane
CID 55137358
5-bromo-2-piperidin-1-ylpyridine;hydrochloride
CID 53217409
1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine
CID 104800894

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-2-azabicyclo[2.1.1]hexan-5-amine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-2-azabicyclo[2.1.1]hexan-5-amine (CID 131059633) is 2-(5-bromo-2-pyridinyl)-2-azabicyclo[2.1.1]hexan-5-amine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-2-azabicyclo[2.1.1]hexan-5-amine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-2-azabicyclo[2.1.1]hexan-5-amine is NC1C2CC1N(c1ccc(Br)cn1)C2.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-2-azabicyclo[2.1.1]hexan-5-amine?
The InChIKey is ILKWDKNMAKVMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c11-7-1-2-9(13-4-7)14-5-6-3-8(14)10(6)12/h1-2,4,6,8,10H,3,5,12H2.
What are the key properties of 2-(5-bromo-2-pyridinyl)-2-azabicyclo[2.1.1]hexan-5-amine?
2-(5-bromo-2-pyridinyl)-2-azabicyclo[2.1.1]hexan-5-amine has a molecular weight of 254.13 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-2-azabicyclo[2.1.1]hexan-5-amine is sourced from PubChem (CID 131059633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).