1-(2-amino-5-chloro-3-pyridinyl)-1-cyclohexylethanol

C13H19ClN2O — CID 114795065

IUPAC1-(2-amino-5-chloro-3-pyridinyl)-1-cyclohexylethanol
SMILESCC(O)(c1cc(Cl)cnc1N)C1CCCCC1
InChIInChI=1S/C13H19ClN2O/c1-13(17,9-5-3-2-4-6-9)11-7-10(14)8-16-12(11)15/h7-9,17H,2-6H2,1H3,(H2,15,16)
InChIKeyCKJCXGAAMABJLZ-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.11
Rot. Bonds2

About 1-(2-amino-5-chloro-3-pyridinyl)-1-cyclohexylethanol

1-(2-amino-5-chloro-3-pyridinyl)-1-cyclohexylethanol (PubChem CID 114795065) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-(2-amino-5-chloro-3-pyridinyl)-1-cyclohexylethanol.

Molecular Properties

Compound Name1-(2-amino-5-chloro-3-pyridinyl)-1-cyclohexylethanol
PubChem CID114795065
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name1-(2-amino-5-chloro-3-pyridinyl)-1-cyclohexylethanol
SMILESCC(O)(c1cc(Cl)cnc1N)C1CCCCC1
InChIInChI=1S/C13H19ClN2O/c1-13(17,9-5-3-2-4-6-9)11-7-10(14)8-16-12(11)15/h7-9,17H,2-6H2,1H3,(H2,15,16)
InChIKeyCKJCXGAAMABJLZ-UHFFFAOYSA-N
XLogP3.11
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-1-cyclohexylethanol?
The IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-1-cyclohexylethanol (CID 114795065) is 1-(2-amino-5-chloro-3-pyridinyl)-1-cyclohexylethanol.
What is the SMILES notation for 1-(2-amino-5-chloro-3-pyridinyl)-1-cyclohexylethanol?
The canonical SMILES for 1-(2-amino-5-chloro-3-pyridinyl)-1-cyclohexylethanol is CC(O)(c1cc(Cl)cnc1N)C1CCCCC1.
What is the InChIKey of 1-(2-amino-5-chloro-3-pyridinyl)-1-cyclohexylethanol?
The InChIKey is CKJCXGAAMABJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-13(17,9-5-3-2-4-6-9)11-7-10(14)8-16-12(11)15/h7-9,17H,2-6H2,1H3,(H2,15,16).
What are the key properties of 1-(2-amino-5-chloro-3-pyridinyl)-1-cyclohexylethanol?
1-(2-amino-5-chloro-3-pyridinyl)-1-cyclohexylethanol has a molecular weight of 254.76 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chloro-3-pyridinyl)-1-cyclohexylethanol is sourced from PubChem (CID 114795065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).