2,4,5-trimethyl-6-pyrrolidin-1-ylpyridin-3-ol

C12H18N2O — CID 71622658

IUPAC2,4,5-trimethyl-6-pyrrolidin-1-ylpyridin-3-ol
SMILESCc1nc(N2CCCC2)c(C)c(C)c1O
InChIInChI=1S/C12H18N2O/c1-8-9(2)12(13-10(3)11(8)15)14-6-4-5-7-14/h15H,4-7H2,1-3H3
InChIKeyVCPAMQFEBNYADD-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.31
Rot. Bonds1

About 2,4,5-trimethyl-6-pyrrolidin-1-ylpyridin-3-ol

2,4,5-trimethyl-6-pyrrolidin-1-ylpyridin-3-ol (PubChem CID 71622658) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2,4,5-trimethyl-6-pyrrolidin-1-ylpyridin-3-ol.

Molecular Properties

Compound Name2,4,5-trimethyl-6-pyrrolidin-1-ylpyridin-3-ol
PubChem CID71622658
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2,4,5-trimethyl-6-pyrrolidin-1-ylpyridin-3-ol
SMILESCc1nc(N2CCCC2)c(C)c(C)c1O
InChIInChI=1S/C12H18N2O/c1-8-9(2)12(13-10(3)11(8)15)14-6-4-5-7-14/h15H,4-7H2,1-3H3
InChIKeyVCPAMQFEBNYADD-UHFFFAOYSA-N
XLogP2.31
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-6-pyrrolidin-1-ylpyridin-3-ol?
The IUPAC name of 2,4,5-trimethyl-6-pyrrolidin-1-ylpyridin-3-ol (CID 71622658) is 2,4,5-trimethyl-6-pyrrolidin-1-ylpyridin-3-ol.
What is the SMILES notation for 2,4,5-trimethyl-6-pyrrolidin-1-ylpyridin-3-ol?
The canonical SMILES for 2,4,5-trimethyl-6-pyrrolidin-1-ylpyridin-3-ol is Cc1nc(N2CCCC2)c(C)c(C)c1O.
What is the InChIKey of 2,4,5-trimethyl-6-pyrrolidin-1-ylpyridin-3-ol?
The InChIKey is VCPAMQFEBNYADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8-9(2)12(13-10(3)11(8)15)14-6-4-5-7-14/h15H,4-7H2,1-3H3.
What are the key properties of 2,4,5-trimethyl-6-pyrrolidin-1-ylpyridin-3-ol?
2,4,5-trimethyl-6-pyrrolidin-1-ylpyridin-3-ol has a molecular weight of 206.29 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-6-pyrrolidin-1-ylpyridin-3-ol is sourced from PubChem (CID 71622658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).