1-[6-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-2-pyridinyl]ethane-1,2-diol

C19H18N2O3 — CID 56943312

IUPAC1-[6-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-2-pyridinyl]ethane-1,2-diol
SMILESCc1ccc(Oc2ccc(-c3cccc(C(O)CO)n3)cc2)cn1
InChIInChI=1S/C19H18N2O3/c1-13-5-8-16(11-20-13)24-15-9-6-14(7-10-15)17-3-2-4-18(21-17)19(23)12-22/h2-11,19,22-23H,12H2,1H3
InChIKeyOFZHEFGWTIKJDJ-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.27
Rot. Bonds5

About 1-[6-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-2-pyridinyl]ethane-1,2-diol

1-[6-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-2-pyridinyl]ethane-1,2-diol (PubChem CID 56943312) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-[6-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-2-pyridinyl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[6-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-2-pyridinyl]ethane-1,2-diol
PubChem CID56943312
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name1-[6-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-2-pyridinyl]ethane-1,2-diol
SMILESCc1ccc(Oc2ccc(-c3cccc(C(O)CO)n3)cc2)cn1
InChIInChI=1S/C19H18N2O3/c1-13-5-8-16(11-20-13)24-15-9-6-14(7-10-15)17-3-2-4-18(21-17)19(23)12-22/h2-11,19,22-23H,12H2,1H3
InChIKeyOFZHEFGWTIKJDJ-UHFFFAOYSA-N
XLogP3.27
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Aqw-051
CID 50914822
5-Hexyl-2-pyridin-3-yloxyphenol
CID 44450159
4-(3-{4-[(S)-Cyclopentyl(Hydroxy)pyridin-2-Ylmethyl]piperidin-1-Yl}propoxy)benzonitrile
CID 71777739
(R)-4-(3-(4-((3-Fluorophenyl)(hydroxy)(pyridin-2-yl)methyl)piperidin-1-yl)propoxy)benzonitrile
CID 71777738
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-(2-pyridin-4-yl-ethyl)-pyridine
CID 10469925
5-(3-Pyridyl)-3-(1-methyl-2-(s)-pyrrolidinylmethoxy)pyridine
CID 15480241
3-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-quinoline
CID 44372369
US10155760, Example 125
CID 118429626
US10155760, Example 122
CID 118429629
Pyridine, 2-(4-ethoxyphenyl)-5-pentyl-
CID 3126242
6-(4-Heptoxyphenyl)-3-pyridinecarbonitrile
CID 3126290
alpha-(4-Methoxyphenyl)-2-pyridinemethanol
CID 99004

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-2-pyridinyl]ethane-1,2-diol?
The IUPAC name of 1-[6-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-2-pyridinyl]ethane-1,2-diol (CID 56943312) is 1-[6-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-2-pyridinyl]ethane-1,2-diol.
What is the SMILES notation for 1-[6-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-2-pyridinyl]ethane-1,2-diol?
The canonical SMILES for 1-[6-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-2-pyridinyl]ethane-1,2-diol is Cc1ccc(Oc2ccc(-c3cccc(C(O)CO)n3)cc2)cn1.
What is the InChIKey of 1-[6-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-2-pyridinyl]ethane-1,2-diol?
The InChIKey is OFZHEFGWTIKJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13-5-8-16(11-20-13)24-15-9-6-14(7-10-15)17-3-2-4-18(21-17)19(23)12-22/h2-11,19,22-23H,12H2,1H3.
What are the key properties of 1-[6-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-2-pyridinyl]ethane-1,2-diol?
1-[6-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-2-pyridinyl]ethane-1,2-diol has a molecular weight of 322.36 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-2-pyridinyl]ethane-1,2-diol is sourced from PubChem (CID 56943312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).