[1-(5-bromo-2-pyridinyl)cyclopropyl]methanamine;dihydrochloride

C9H13BrCl2N2 — CID 169448349

IUPAC[1-(5-bromo-2-pyridinyl)cyclopropyl]methanamine;dihydrochloride
SMILESCl.Cl.NCC1(c2ccc(Br)cn2)CC1
InChIInChI=1S/C9H11BrN2.2ClH/c10-7-1-2-8(12-5-7)9(6-11)3-4-9;;/h1-2,5H,3-4,6,11H2;2*1H
InChIKeyYRINHLRBXYSVMC-UHFFFAOYSA-N
MW300.03 g/mol
LogP2.68
Rot. Bonds2

About [1-(5-bromo-2-pyridinyl)cyclopropyl]methanamine;dihydrochloride

[1-(5-bromo-2-pyridinyl)cyclopropyl]methanamine;dihydrochloride (PubChem CID 169448349) has the molecular formula C9H13BrCl2N2 and a molecular weight of 300.03 g/mol. Its IUPAC name is [1-(5-bromo-2-pyridinyl)cyclopropyl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[1-(5-bromo-2-pyridinyl)cyclopropyl]methanamine;dihydrochloride
PubChem CID169448349
Molecular FormulaC9H13BrCl2N2
Molecular Weight300.03 g/mol
Exact Mass297.96
IUPAC Name[1-(5-bromo-2-pyridinyl)cyclopropyl]methanamine;dihydrochloride
SMILESCl.Cl.NCC1(c2ccc(Br)cn2)CC1
InChIInChI=1S/C9H11BrN2.2ClH/c10-7-1-2-8(12-5-7)9(6-11)3-4-9;;/h1-2,5H,3-4,6,11H2;2*1H
InChIKeyYRINHLRBXYSVMC-UHFFFAOYSA-N
XLogP2.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.03
LogP ≤ 52.68
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)cyclopropyl]methanamine;dihydrochloride?
The IUPAC name of [1-(5-bromo-2-pyridinyl)cyclopropyl]methanamine;dihydrochloride (CID 169448349) is [1-(5-bromo-2-pyridinyl)cyclopropyl]methanamine;dihydrochloride.
What is the SMILES notation for [1-(5-bromo-2-pyridinyl)cyclopropyl]methanamine;dihydrochloride?
The canonical SMILES for [1-(5-bromo-2-pyridinyl)cyclopropyl]methanamine;dihydrochloride is Cl.Cl.NCC1(c2ccc(Br)cn2)CC1.
What is the InChIKey of [1-(5-bromo-2-pyridinyl)cyclopropyl]methanamine;dihydrochloride?
The InChIKey is YRINHLRBXYSVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2.2ClH/c10-7-1-2-8(12-5-7)9(6-11)3-4-9;;/h1-2,5H,3-4,6,11H2;2*1H.
What are the key properties of [1-(5-bromo-2-pyridinyl)cyclopropyl]methanamine;dihydrochloride?
[1-(5-bromo-2-pyridinyl)cyclopropyl]methanamine;dihydrochloride has a molecular weight of 300.03 g/mol, XLogP of 2.68, 2 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)cyclopropyl]methanamine;dihydrochloride is sourced from PubChem (CID 169448349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).