N-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine

C10H12BrN3 — CID 43599084

IUPACN-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESBrc1ccc(NC2C3CNCC32)nc1
InChIInChI=1S/C10H12BrN3/c11-6-1-2-9(13-3-6)14-10-7-4-12-5-8(7)10/h1-3,7-8,10,12H,4-5H2,(H,13,14)
InChIKeyDAKAXEIQABESGA-UHFFFAOYSA-N
MW254.13 g/mol
LogP1.47
Rot. Bonds2

About N-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine

N-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 43599084) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID43599084
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC NameN-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESBrc1ccc(NC2C3CNCC32)nc1
InChIInChI=1S/C10H12BrN3/c11-6-1-2-9(13-3-6)14-10-7-4-12-5-8(7)10/h1-3,7-8,10,12H,4-5H2,(H,13,14)
InChIKeyDAKAXEIQABESGA-UHFFFAOYSA-N
XLogP1.47
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71636366
5-bromo-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride
CID 71636378
trans-(1S,2S)-2-[(5-bromo-2-pyridinyl)amino]cyclohexan-1-ol
CID 119031585
(1R,2S)-1-[(5-bromo-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol
CID 71982317
5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]pyridin-2-amine
CID 131052459
cis-(1R,2S)-2-N-(5-bromo-2-pyridinyl)cyclohexane-1,2-diamine
CID 93453964
4-[(5-bromo-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 118092598
2-[azetidin-3-yl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide
CID 66214675
5-[(5-bromo-2-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688642
5-bromo-N-[(5-methylpiperidin-2-yl)methyl]pyridin-2-amine
CID 76693034
5-bromo-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 62542194
N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-bromo-2-iodobenzamide
CID 114032600

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of N-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine (CID 43599084) is N-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine is Brc1ccc(NC2C3CNCC32)nc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is DAKAXEIQABESGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c11-6-1-2-9(13-3-6)14-10-7-4-12-5-8(7)10/h1-3,7-8,10,12H,4-5H2,(H,13,14).
What are the key properties of N-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine?
N-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 254.13 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 43599084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).