[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanol

C12H17ClN2O2 — CID 61257087

IUPAC[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanol
SMILESCCC1COCCN1c1ccc(Cl)c(CO)n1
InChIInChI=1S/C12H17ClN2O2/c1-2-9-8-17-6-5-15(9)12-4-3-10(13)11(7-16)14-12/h3-4,9,16H,2,5-8H2,1H3
InChIKeyUOXBHEGAWKGPFJ-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.84
Rot. Bonds3

About [3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanol

[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanol (PubChem CID 61257087) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is [3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanol
PubChem CID61257087
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanol
SMILESCCC1COCCN1c1ccc(Cl)c(CO)n1
InChIInChI=1S/C12H17ClN2O2/c1-2-9-8-17-6-5-15(9)12-4-3-10(13)11(7-16)14-12/h3-4,9,16H,2,5-8H2,1H3
InChIKeyUOXBHEGAWKGPFJ-UHFFFAOYSA-N
XLogP1.84
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanol?
The IUPAC name of [3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanol (CID 61257087) is [3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanol?
The canonical SMILES for [3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanol is CCC1COCCN1c1ccc(Cl)c(CO)n1.
What is the InChIKey of [3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanol?
The InChIKey is UOXBHEGAWKGPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-2-9-8-17-6-5-15(9)12-4-3-10(13)11(7-16)14-12/h3-4,9,16H,2,5-8H2,1H3.
What are the key properties of [3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanol?
[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanol has a molecular weight of 256.73 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 61257087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).