bis(6-methoxy-3-pyridinyl)methanol;ethane

C15H20N2O3 — CID 145185177

IUPACbis(6-methoxy-3-pyridinyl)methanol;ethane
SMILESCC.COc1ccc(C(O)c2ccc(OC)nc2)cn1
InChIInChI=1S/C13H14N2O3.C2H6/c1-17-11-5-3-9(7-14-11)13(16)10-4-6-12(18-2)15-8-10;1-2/h3-8,13,16H,1-2H3;1-2H3
InChIKeyJJUALNZKZXSRQD-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.60
Rot. Bonds4

About bis(6-methoxy-3-pyridinyl)methanol;ethane

bis(6-methoxy-3-pyridinyl)methanol;ethane (PubChem CID 145185177) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is bis(6-methoxy-3-pyridinyl)methanol;ethane.

Molecular Properties

Compound Namebis(6-methoxy-3-pyridinyl)methanol;ethane
PubChem CID145185177
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namebis(6-methoxy-3-pyridinyl)methanol;ethane
SMILESCC.COc1ccc(C(O)c2ccc(OC)nc2)cn1
InChIInChI=1S/C13H14N2O3.C2H6/c1-17-11-5-3-9(7-14-11)13(16)10-4-6-12(18-2)15-8-10;1-2/h3-8,13,16H,1-2H3;1-2H3
InChIKeyJJUALNZKZXSRQD-UHFFFAOYSA-N
XLogP2.60
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze bis(6-methoxy-3-pyridinyl)methanol;ethane with MolForge

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

Launch Full Analysis

Related Compounds

(S)-(6-methoxy-3-pyridinyl)-phenylmethanol
CID 101469582
(4-fluorophenyl)-(6-methoxy-3-pyridinyl)methanol
CID 58882938
(6-methoxy-3-pyridinyl)-(1-methylpyrazol-4-yl)methanol
CID 114937913
(6-methoxy-3-pyridinyl)-(4-propoxyphenyl)methanol
CID 114937776
1-(6-methoxy-3-pyridinyl)-2-methylpropane-1,2-diol
CID 58380617
2-methoxy-1-(6-methoxy-3-pyridinyl)ethanol
CID 114937935
(1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol
CID 130700644
4-bromo-1-(6-methoxy-3-pyridinyl)butane-1,2-diol
CID 171891786
(2,3-difluoro-4-methylphenyl)-(6-methoxy-3-pyridinyl)methanol
CID 107512417
(5-chlorothiophen-2-yl)-(6-methoxy-3-pyridinyl)methanol
CID 114938025
1-(6-methoxy-3-pyridinyl)-2-methylbutan-1-ol
CID 114938063
(2,6-difluoro-3-methylphenyl)-(6-methoxy-3-pyridinyl)methanol
CID 114937941

Frequently Asked Questions

What is the IUPAC name of bis(6-methoxy-3-pyridinyl)methanol;ethane?
The IUPAC name of bis(6-methoxy-3-pyridinyl)methanol;ethane (CID 145185177) is bis(6-methoxy-3-pyridinyl)methanol;ethane.
What is the SMILES notation for bis(6-methoxy-3-pyridinyl)methanol;ethane?
The canonical SMILES for bis(6-methoxy-3-pyridinyl)methanol;ethane is CC.COc1ccc(C(O)c2ccc(OC)nc2)cn1.
What is the InChIKey of bis(6-methoxy-3-pyridinyl)methanol;ethane?
The InChIKey is JJUALNZKZXSRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3.C2H6/c1-17-11-5-3-9(7-14-11)13(16)10-4-6-12(18-2)15-8-10;1-2/h3-8,13,16H,1-2H3;1-2H3.
What are the key properties of bis(6-methoxy-3-pyridinyl)methanol;ethane?
bis(6-methoxy-3-pyridinyl)methanol;ethane has a molecular weight of 276.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-methoxy-3-pyridinyl)methanol;ethane is sourced from PubChem (CID 145185177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).