1-[[(3,5-dibromo-2-pyridinyl)methylamino]methyl]cyclopentan-1-ol

C12H16Br2N2O — CID 113393726

IUPAC1-[[(3,5-dibromo-2-pyridinyl)methylamino]methyl]cyclopentan-1-ol
SMILESOC1(CNCc2ncc(Br)cc2Br)CCCC1
InChIInChI=1S/C12H16Br2N2O/c13-9-5-10(14)11(16-6-9)7-15-8-12(17)3-1-2-4-12/h5-6,15,17H,1-4,7-8H2
InChIKeyPGEJPLDXGLVDNC-UHFFFAOYSA-N
MW364.08 g/mol
LogP3.00
Rot. Bonds4

About 1-[[(3,5-dibromo-2-pyridinyl)methylamino]methyl]cyclopentan-1-ol

1-[[(3,5-dibromo-2-pyridinyl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 113393726) has the molecular formula C12H16Br2N2O and a molecular weight of 364.08 g/mol. Its IUPAC name is 1-[[(3,5-dibromo-2-pyridinyl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(3,5-dibromo-2-pyridinyl)methylamino]methyl]cyclopentan-1-ol
PubChem CID113393726
Molecular FormulaC12H16Br2N2O
Molecular Weight364.08 g/mol
Exact Mass361.96
IUPAC Name1-[[(3,5-dibromo-2-pyridinyl)methylamino]methyl]cyclopentan-1-ol
SMILESOC1(CNCc2ncc(Br)cc2Br)CCCC1
InChIInChI=1S/C12H16Br2N2O/c13-9-5-10(14)11(16-6-9)7-15-8-12(17)3-1-2-4-12/h5-6,15,17H,1-4,7-8H2
InChIKeyPGEJPLDXGLVDNC-UHFFFAOYSA-N
XLogP3.00
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.08
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3,5-dibromo-2-pyridinyl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(3,5-dibromo-2-pyridinyl)methylamino]methyl]cyclopentan-1-ol (CID 113393726) is 1-[[(3,5-dibromo-2-pyridinyl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(3,5-dibromo-2-pyridinyl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(3,5-dibromo-2-pyridinyl)methylamino]methyl]cyclopentan-1-ol is OC1(CNCc2ncc(Br)cc2Br)CCCC1.
What is the InChIKey of 1-[[(3,5-dibromo-2-pyridinyl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is PGEJPLDXGLVDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O/c13-9-5-10(14)11(16-6-9)7-15-8-12(17)3-1-2-4-12/h5-6,15,17H,1-4,7-8H2.
What are the key properties of 1-[[(3,5-dibromo-2-pyridinyl)methylamino]methyl]cyclopentan-1-ol?
1-[[(3,5-dibromo-2-pyridinyl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 364.08 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3,5-dibromo-2-pyridinyl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 113393726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).