1-(6-bromo-2-pyridinyl)cyclopropan-1-amine

C8H9BrN2 — CID 57346521

IUPAC1-(6-bromo-2-pyridinyl)cyclopropan-1-amine
SMILESNC1(c2cccc(Br)n2)CC1
InChIInChI=1S/C8H9BrN2/c9-7-3-1-2-6(11-7)8(10)4-5-8/h1-3H,4-5,10H2
InChIKeyBAEAFXDAFMBZRR-UHFFFAOYSA-N
MW213.08 g/mol
LogP1.79
Rot. Bonds1

About 1-(6-bromo-2-pyridinyl)cyclopropan-1-amine

1-(6-bromo-2-pyridinyl)cyclopropan-1-amine (PubChem CID 57346521) has the molecular formula C8H9BrN2 and a molecular weight of 213.08 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)cyclopropan-1-amine
PubChem CID57346521
Molecular FormulaC8H9BrN2
Molecular Weight213.08 g/mol
Exact Mass211.99
IUPAC Name1-(6-bromo-2-pyridinyl)cyclopropan-1-amine
SMILESNC1(c2cccc(Br)n2)CC1
InChIInChI=1S/C8H9BrN2/c9-7-3-1-2-6(11-7)8(10)4-5-8/h1-3H,4-5,10H2
InChIKeyBAEAFXDAFMBZRR-UHFFFAOYSA-N
XLogP1.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.08
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-pyridinyl)cyclopropan-1-amine?
The IUPAC name of 1-(6-bromo-2-pyridinyl)cyclopropan-1-amine (CID 57346521) is 1-(6-bromo-2-pyridinyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)cyclopropan-1-amine?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)cyclopropan-1-amine is NC1(c2cccc(Br)n2)CC1.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)cyclopropan-1-amine?
The InChIKey is BAEAFXDAFMBZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2/c9-7-3-1-2-6(11-7)8(10)4-5-8/h1-3H,4-5,10H2.
What are the key properties of 1-(6-bromo-2-pyridinyl)cyclopropan-1-amine?
1-(6-bromo-2-pyridinyl)cyclopropan-1-amine has a molecular weight of 213.08 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)cyclopropan-1-amine is sourced from PubChem (CID 57346521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).