1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;dihydrochloride

C8H11BrCl2N2 — CID 71742170

IUPAC1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;dihydrochloride
SMILESCl.Cl.NC1(c2ccc(Br)cn2)CC1
InChIInChI=1S/C8H9BrN2.2ClH/c9-6-1-2-7(11-5-6)8(10)3-4-8;;/h1-2,5H,3-4,10H2;2*1H
InChIKeyIIHDDZXJYZMKPR-UHFFFAOYSA-N
MW286.00 g/mol
LogP2.64
Rot. Bonds1

About 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;dihydrochloride

1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;dihydrochloride (PubChem CID 71742170) has the molecular formula C8H11BrCl2N2 and a molecular weight of 286.00 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;dihydrochloride.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;dihydrochloride
PubChem CID71742170
Molecular FormulaC8H11BrCl2N2
Molecular Weight286.00 g/mol
Exact Mass283.95
IUPAC Name1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;dihydrochloride
SMILESCl.Cl.NC1(c2ccc(Br)cn2)CC1
InChIInChI=1S/C8H9BrN2.2ClH/c9-6-1-2-7(11-5-6)8(10)3-4-8;;/h1-2,5H,3-4,10H2;2*1H
InChIKeyIIHDDZXJYZMKPR-UHFFFAOYSA-N
XLogP2.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.00
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;dihydrochloride?
The IUPAC name of 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;dihydrochloride (CID 71742170) is 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;dihydrochloride.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;dihydrochloride?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;dihydrochloride is Cl.Cl.NC1(c2ccc(Br)cn2)CC1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;dihydrochloride?
The InChIKey is IIHDDZXJYZMKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2.2ClH/c9-6-1-2-7(11-5-6)8(10)3-4-8;;/h1-2,5H,3-4,10H2;2*1H.
What are the key properties of 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;dihydrochloride?
1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;dihydrochloride has a molecular weight of 286.00 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;dihydrochloride is sourced from PubChem (CID 71742170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).