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

C12H14N2O — CID 71622661

IUPAC2,4,5-trimethyl-6-pyrrol-1-ylpyridin-3-ol
SMILESCc1nc(-n2cccc2)c(C)c(C)c1O
InChIInChI=1S/C12H14N2O/c1-8-9(2)12(13-10(3)11(8)15)14-6-4-5-7-14/h4-7,15H,1-3H3
InChIKeyGLOGFDFBRUWQIX-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.50
Rot. Bonds1

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

2,4,5-trimethyl-6-pyrrol-1-ylpyridin-3-ol (PubChem CID 71622661) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2,4,5-trimethyl-6-pyrrol-1-ylpyridin-3-ol.

Molecular Properties

Compound Name2,4,5-trimethyl-6-pyrrol-1-ylpyridin-3-ol
PubChem CID71622661
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2,4,5-trimethyl-6-pyrrol-1-ylpyridin-3-ol
SMILESCc1nc(-n2cccc2)c(C)c(C)c1O
InChIInChI=1S/C12H14N2O/c1-8-9(2)12(13-10(3)11(8)15)14-6-4-5-7-14/h4-7,15H,1-3H3
InChIKeyGLOGFDFBRUWQIX-UHFFFAOYSA-N
XLogP2.50
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.50
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-pyrrol-1-ylpyridin-3-ol?
The IUPAC name of 2,4,5-trimethyl-6-pyrrol-1-ylpyridin-3-ol (CID 71622661) is 2,4,5-trimethyl-6-pyrrol-1-ylpyridin-3-ol.
What is the SMILES notation for 2,4,5-trimethyl-6-pyrrol-1-ylpyridin-3-ol?
The canonical SMILES for 2,4,5-trimethyl-6-pyrrol-1-ylpyridin-3-ol is Cc1nc(-n2cccc2)c(C)c(C)c1O.
What is the InChIKey of 2,4,5-trimethyl-6-pyrrol-1-ylpyridin-3-ol?
The InChIKey is GLOGFDFBRUWQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8-9(2)12(13-10(3)11(8)15)14-6-4-5-7-14/h4-7,15H,1-3H3.
What are the key properties of 2,4,5-trimethyl-6-pyrrol-1-ylpyridin-3-ol?
2,4,5-trimethyl-6-pyrrol-1-ylpyridin-3-ol has a molecular weight of 202.26 g/mol, XLogP of 2.50, 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-pyrrol-1-ylpyridin-3-ol is sourced from PubChem (CID 71622661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).