3-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopentan-1-ol

C11H16BrN3O — CID 106119555

IUPAC3-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopentan-1-ol
SMILESNc1cncc(Br)c1NCC1CCC(O)C1
InChIInChI=1S/C11H16BrN3O/c12-9-5-14-6-10(13)11(9)15-4-7-1-2-8(16)3-7/h5-8,16H,1-4,13H2,(H,14,15)
InChIKeyFHWNPURRBQIMHG-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.00
Rot. Bonds3

About 3-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopentan-1-ol

3-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopentan-1-ol (PubChem CID 106119555) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopentan-1-ol
PubChem CID106119555
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name3-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopentan-1-ol
SMILESNc1cncc(Br)c1NCC1CCC(O)C1
InChIInChI=1S/C11H16BrN3O/c12-9-5-14-6-10(13)11(9)15-4-7-1-2-8(16)3-7/h5-8,16H,1-4,13H2,(H,14,15)
InChIKeyFHWNPURRBQIMHG-UHFFFAOYSA-N
XLogP2.00
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopentan-1-ol (CID 106119555) is 3-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopentan-1-ol is Nc1cncc(Br)c1NCC1CCC(O)C1.
What is the InChIKey of 3-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is FHWNPURRBQIMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c12-9-5-14-6-10(13)11(9)15-4-7-1-2-8(16)3-7/h5-8,16H,1-4,13H2,(H,14,15).
What are the key properties of 3-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopentan-1-ol?
3-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 286.17 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106119555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).