4-[(3-chloro-2-pyridinyl)amino]cyclohexan-1-ol

C11H15ClN2O — CID 28555961

IUPAC4-[(3-chloro-2-pyridinyl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ncccc2Cl)CC1
InChIInChI=1S/C11H15ClN2O/c12-10-2-1-7-13-11(10)14-8-3-5-9(15)6-4-8/h1-2,7-9,15H,3-6H2,(H,13,14)
InChIKeyNEBLVAIJOWPIFF-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.45
Rot. Bonds2

About 4-[(3-chloro-2-pyridinyl)amino]cyclohexan-1-ol

4-[(3-chloro-2-pyridinyl)amino]cyclohexan-1-ol (PubChem CID 28555961) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-[(3-chloro-2-pyridinyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3-chloro-2-pyridinyl)amino]cyclohexan-1-ol
PubChem CID28555961
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name4-[(3-chloro-2-pyridinyl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ncccc2Cl)CC1
InChIInChI=1S/C11H15ClN2O/c12-10-2-1-7-13-11(10)14-8-3-5-9(15)6-4-8/h1-2,7-9,15H,3-6H2,(H,13,14)
InChIKeyNEBLVAIJOWPIFF-UHFFFAOYSA-N
XLogP2.45
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-pyridinyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(3-chloro-2-pyridinyl)amino]cyclohexan-1-ol (CID 28555961) is 4-[(3-chloro-2-pyridinyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3-chloro-2-pyridinyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(3-chloro-2-pyridinyl)amino]cyclohexan-1-ol is OC1CCC(Nc2ncccc2Cl)CC1.
What is the InChIKey of 4-[(3-chloro-2-pyridinyl)amino]cyclohexan-1-ol?
The InChIKey is NEBLVAIJOWPIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-10-2-1-7-13-11(10)14-8-3-5-9(15)6-4-8/h1-2,7-9,15H,3-6H2,(H,13,14).
What are the key properties of 4-[(3-chloro-2-pyridinyl)amino]cyclohexan-1-ol?
4-[(3-chloro-2-pyridinyl)amino]cyclohexan-1-ol has a molecular weight of 226.71 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-pyridinyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 28555961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).