2-[[6-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol

C19H17FN2O2 — CID 118088327

IUPAC2-[[6-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol
SMILESOc1ccccc1Cc1cccc(-c2ccc(OCCF)nc2)n1
InChIInChI=1S/C19H17FN2O2/c20-10-11-24-19-9-8-15(13-21-19)17-6-3-5-16(22-17)12-14-4-1-2-7-18(14)23/h1-9,13,23H,10-12H2
InChIKeyNQPDXZVRCGGUGV-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.79
Rot. Bonds6

About 2-[[6-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol

2-[[6-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol (PubChem CID 118088327) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-[[6-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol.

Molecular Properties

Compound Name2-[[6-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol
PubChem CID118088327
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name2-[[6-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol
SMILESOc1ccccc1Cc1cccc(-c2ccc(OCCF)nc2)n1
InChIInChI=1S/C19H17FN2O2/c20-10-11-24-19-9-8-15(13-21-19)17-6-3-5-16(22-17)12-14-4-1-2-7-18(14)23/h1-9,13,23H,10-12H2
InChIKeyNQPDXZVRCGGUGV-UHFFFAOYSA-N
XLogP3.79
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol?
The IUPAC name of 2-[[6-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol (CID 118088327) is 2-[[6-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol.
What is the SMILES notation for 2-[[6-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol?
The canonical SMILES for 2-[[6-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol is Oc1ccccc1Cc1cccc(-c2ccc(OCCF)nc2)n1.
What is the InChIKey of 2-[[6-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol?
The InChIKey is NQPDXZVRCGGUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c20-10-11-24-19-9-8-15(13-21-19)17-6-3-5-16(22-17)12-14-4-1-2-7-18(14)23/h1-9,13,23H,10-12H2.
What are the key properties of 2-[[6-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol?
2-[[6-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol has a molecular weight of 324.36 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol is sourced from PubChem (CID 118088327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).