3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenol

C18H16N2O2 — CID 171833507

IUPAC3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenol
SMILESOc1cccc(-c2ncccc2OCCc2cccnc2)c1
InChIInChI=1S/C18H16N2O2/c21-16-6-1-5-15(12-16)18-17(7-3-10-20-18)22-11-8-14-4-2-9-19-13-14/h1-7,9-10,12-13,21H,8,11H2
InChIKeyRPIMVDUBKWWKJI-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.47
Rot. Bonds5

About 3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenol

3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenol (PubChem CID 171833507) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenol
PubChem CID171833507
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenol
SMILESOc1cccc(-c2ncccc2OCCc2cccnc2)c1
InChIInChI=1S/C18H16N2O2/c21-16-6-1-5-15(12-16)18-17(7-3-10-20-18)22-11-8-14-4-2-9-19-13-14/h1-7,9-10,12-13,21H,8,11H2
InChIKeyRPIMVDUBKWWKJI-UHFFFAOYSA-N
XLogP3.47
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenol?
The IUPAC name of 3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenol (CID 171833507) is 3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenol.
What is the SMILES notation for 3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenol?
The canonical SMILES for 3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenol is Oc1cccc(-c2ncccc2OCCc2cccnc2)c1.
What is the InChIKey of 3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenol?
The InChIKey is RPIMVDUBKWWKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-16-6-1-5-15(12-16)18-17(7-3-10-20-18)22-11-8-14-4-2-9-19-13-14/h1-7,9-10,12-13,21H,8,11H2.
What are the key properties of 3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenol?
3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenol has a molecular weight of 292.34 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenol is sourced from PubChem (CID 171833507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).