4-[(2,6-dichloro-4-pyridinyl)amino]cyclohexan-1-ol

C11H14Cl2N2O — CID 87174143

IUPAC4-[(2,6-dichloro-4-pyridinyl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2cc(Cl)nc(Cl)c2)CC1
InChIInChI=1S/C11H14Cl2N2O/c12-10-5-8(6-11(13)15-10)14-7-1-3-9(16)4-2-7/h5-7,9,16H,1-4H2,(H,14,15)
InChIKeyQIEYBUQZGAHXEF-UHFFFAOYSA-N
MW261.15 g/mol
LogP3.10
Rot. Bonds2

About 4-[(2,6-dichloro-4-pyridinyl)amino]cyclohexan-1-ol

4-[(2,6-dichloro-4-pyridinyl)amino]cyclohexan-1-ol (PubChem CID 87174143) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 4-[(2,6-dichloro-4-pyridinyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2,6-dichloro-4-pyridinyl)amino]cyclohexan-1-ol
PubChem CID87174143
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name4-[(2,6-dichloro-4-pyridinyl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2cc(Cl)nc(Cl)c2)CC1
InChIInChI=1S/C11H14Cl2N2O/c12-10-5-8(6-11(13)15-10)14-7-1-3-9(16)4-2-7/h5-7,9,16H,1-4H2,(H,14,15)
InChIKeyQIEYBUQZGAHXEF-UHFFFAOYSA-N
XLogP3.10
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichloro-4-pyridinyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(2,6-dichloro-4-pyridinyl)amino]cyclohexan-1-ol (CID 87174143) is 4-[(2,6-dichloro-4-pyridinyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2,6-dichloro-4-pyridinyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(2,6-dichloro-4-pyridinyl)amino]cyclohexan-1-ol is OC1CCC(Nc2cc(Cl)nc(Cl)c2)CC1.
What is the InChIKey of 4-[(2,6-dichloro-4-pyridinyl)amino]cyclohexan-1-ol?
The InChIKey is QIEYBUQZGAHXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c12-10-5-8(6-11(13)15-10)14-7-1-3-9(16)4-2-7/h5-7,9,16H,1-4H2,(H,14,15).
What are the key properties of 4-[(2,6-dichloro-4-pyridinyl)amino]cyclohexan-1-ol?
4-[(2,6-dichloro-4-pyridinyl)amino]cyclohexan-1-ol has a molecular weight of 261.15 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichloro-4-pyridinyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 87174143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).