2-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol

C13H19ClN2O2 — CID 102636125

IUPAC2-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol
SMILESCN(c1ccc(Cl)c(CO)n1)C1CCCCC1O
InChIInChI=1S/C13H19ClN2O2/c1-16(11-4-2-3-5-12(11)18)13-7-6-9(14)10(8-17)15-13/h6-7,11-12,17-18H,2-5,8H2,1H3
InChIKeyKYHFSVNPNSWMTQ-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.97
Rot. Bonds3

About 2-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol

2-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol (PubChem CID 102636125) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol
PubChem CID102636125
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol
SMILESCN(c1ccc(Cl)c(CO)n1)C1CCCCC1O
InChIInChI=1S/C13H19ClN2O2/c1-16(11-4-2-3-5-12(11)18)13-7-6-9(14)10(8-17)15-13/h6-7,11-12,17-18H,2-5,8H2,1H3
InChIKeyKYHFSVNPNSWMTQ-UHFFFAOYSA-N
XLogP1.97
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol (CID 102636125) is 2-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol is CN(c1ccc(Cl)c(CO)n1)C1CCCCC1O.
What is the InChIKey of 2-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol?
The InChIKey is KYHFSVNPNSWMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-16(11-4-2-3-5-12(11)18)13-7-6-9(14)10(8-17)15-13/h6-7,11-12,17-18H,2-5,8H2,1H3.
What are the key properties of 2-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol?
2-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol has a molecular weight of 270.76 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102636125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).