2-[6-(1-hydroxyethyl)-2-pyridinyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

C17H25NO2 — CID 102381808

IUPAC2-[6-(1-hydroxyethyl)-2-pyridinyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC(O)c1cccc(C2(O)C3(C)CCC(C3)C2(C)C)n1
InChIInChI=1S/C17H25NO2/c1-11(19)13-6-5-7-14(18-13)17(20)15(2,3)12-8-9-16(17,4)10-12/h5-7,11-12,19-20H,8-10H2,1-4H3
InChIKeyPHQICWFIWLPTKM-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.17
Rot. Bonds2

About 2-[6-(1-hydroxyethyl)-2-pyridinyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

2-[6-(1-hydroxyethyl)-2-pyridinyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 102381808) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[6-(1-hydroxyethyl)-2-pyridinyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name2-[6-(1-hydroxyethyl)-2-pyridinyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID102381808
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-[6-(1-hydroxyethyl)-2-pyridinyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC(O)c1cccc(C2(O)C3(C)CCC(C3)C2(C)C)n1
InChIInChI=1S/C17H25NO2/c1-11(19)13-6-5-7-14(18-13)17(20)15(2,3)12-8-9-16(17,4)10-12/h5-7,11-12,19-20H,8-10H2,1-4H3
InChIKeyPHQICWFIWLPTKM-UHFFFAOYSA-N
XLogP3.17
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-hydroxyethyl)-2-pyridinyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 2-[6-(1-hydroxyethyl)-2-pyridinyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol (CID 102381808) is 2-[6-(1-hydroxyethyl)-2-pyridinyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 2-[6-(1-hydroxyethyl)-2-pyridinyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 2-[6-(1-hydroxyethyl)-2-pyridinyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol is CC(O)c1cccc(C2(O)C3(C)CCC(C3)C2(C)C)n1.
What is the InChIKey of 2-[6-(1-hydroxyethyl)-2-pyridinyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is PHQICWFIWLPTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-11(19)13-6-5-7-14(18-13)17(20)15(2,3)12-8-9-16(17,4)10-12/h5-7,11-12,19-20H,8-10H2,1-4H3.
What are the key properties of 2-[6-(1-hydroxyethyl)-2-pyridinyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
2-[6-(1-hydroxyethyl)-2-pyridinyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 275.39 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-hydroxyethyl)-2-pyridinyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 102381808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).