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

C11H16BrN3O — CID 103517535

IUPAC4-[(3-amino-5-bromo-4-pyridinyl)amino]cyclohexan-1-ol
SMILESNc1cncc(Br)c1NC1CCC(O)CC1
InChIInChI=1S/C11H16BrN3O/c12-9-5-14-6-10(13)11(9)15-7-1-3-8(16)4-2-7/h5-8,16H,1-4,13H2,(H,14,15)
InChIKeyIZQDIPGGKYTACR-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.14
Rot. Bonds2

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

4-[(3-amino-5-bromo-4-pyridinyl)amino]cyclohexan-1-ol (PubChem CID 103517535) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 4-[(3-amino-5-bromo-4-pyridinyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3-amino-5-bromo-4-pyridinyl)amino]cyclohexan-1-ol
PubChem CID103517535
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name4-[(3-amino-5-bromo-4-pyridinyl)amino]cyclohexan-1-ol
SMILESNc1cncc(Br)c1NC1CCC(O)CC1
InChIInChI=1S/C11H16BrN3O/c12-9-5-14-6-10(13)11(9)15-7-1-3-8(16)4-2-7/h5-8,16H,1-4,13H2,(H,14,15)
InChIKeyIZQDIPGGKYTACR-UHFFFAOYSA-N
XLogP2.14
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-5-bromo-4-pyridinyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(3-amino-5-bromo-4-pyridinyl)amino]cyclohexan-1-ol (CID 103517535) is 4-[(3-amino-5-bromo-4-pyridinyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3-amino-5-bromo-4-pyridinyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(3-amino-5-bromo-4-pyridinyl)amino]cyclohexan-1-ol is Nc1cncc(Br)c1NC1CCC(O)CC1.
What is the InChIKey of 4-[(3-amino-5-bromo-4-pyridinyl)amino]cyclohexan-1-ol?
The InChIKey is IZQDIPGGKYTACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c12-9-5-14-6-10(13)11(9)15-7-1-3-8(16)4-2-7/h5-8,16H,1-4,13H2,(H,14,15).
What are the key properties of 4-[(3-amino-5-bromo-4-pyridinyl)amino]cyclohexan-1-ol?
4-[(3-amino-5-bromo-4-pyridinyl)amino]cyclohexan-1-ol has a molecular weight of 286.17 g/mol, XLogP of 2.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-5-bromo-4-pyridinyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 103517535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).