4-[4-[3-(2-aminoethoxy)phenyl]-3-pyridinyl]-2,6-difluorophenol

C19H16F2N2O2 — CID 122186021

IUPAC4-[4-[3-(2-aminoethoxy)phenyl]-3-pyridinyl]-2,6-difluorophenol
SMILESNCCOc1cccc(-c2ccncc2-c2cc(F)c(O)c(F)c2)c1
InChIInChI=1S/C19H16F2N2O2/c20-17-9-13(10-18(21)19(17)24)16-11-23-6-4-15(16)12-2-1-3-14(8-12)25-7-5-22/h1-4,6,8-11,24H,5,7,22H2
InChIKeySRNVWQXDZWXKFC-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.74
Rot. Bonds5

About 4-[4-[3-(2-aminoethoxy)phenyl]-3-pyridinyl]-2,6-difluorophenol

4-[4-[3-(2-aminoethoxy)phenyl]-3-pyridinyl]-2,6-difluorophenol (PubChem CID 122186021) has the molecular formula C19H16F2N2O2 and a molecular weight of 342.35 g/mol. Its IUPAC name is 4-[4-[3-(2-aminoethoxy)phenyl]-3-pyridinyl]-2,6-difluorophenol.

Molecular Properties

Compound Name4-[4-[3-(2-aminoethoxy)phenyl]-3-pyridinyl]-2,6-difluorophenol
PubChem CID122186021
Molecular FormulaC19H16F2N2O2
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name4-[4-[3-(2-aminoethoxy)phenyl]-3-pyridinyl]-2,6-difluorophenol
SMILESNCCOc1cccc(-c2ccncc2-c2cc(F)c(O)c(F)c2)c1
InChIInChI=1S/C19H16F2N2O2/c20-17-9-13(10-18(21)19(17)24)16-11-23-6-4-15(16)12-2-1-3-14(8-12)25-7-5-22/h1-4,6,8-11,24H,5,7,22H2
InChIKeySRNVWQXDZWXKFC-UHFFFAOYSA-N
XLogP3.74
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(2-aminoethoxy)phenyl]-3-pyridinyl]-2,6-difluorophenol?
The IUPAC name of 4-[4-[3-(2-aminoethoxy)phenyl]-3-pyridinyl]-2,6-difluorophenol (CID 122186021) is 4-[4-[3-(2-aminoethoxy)phenyl]-3-pyridinyl]-2,6-difluorophenol.
What is the SMILES notation for 4-[4-[3-(2-aminoethoxy)phenyl]-3-pyridinyl]-2,6-difluorophenol?
The canonical SMILES for 4-[4-[3-(2-aminoethoxy)phenyl]-3-pyridinyl]-2,6-difluorophenol is NCCOc1cccc(-c2ccncc2-c2cc(F)c(O)c(F)c2)c1.
What is the InChIKey of 4-[4-[3-(2-aminoethoxy)phenyl]-3-pyridinyl]-2,6-difluorophenol?
The InChIKey is SRNVWQXDZWXKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2/c20-17-9-13(10-18(21)19(17)24)16-11-23-6-4-15(16)12-2-1-3-14(8-12)25-7-5-22/h1-4,6,8-11,24H,5,7,22H2.
What are the key properties of 4-[4-[3-(2-aminoethoxy)phenyl]-3-pyridinyl]-2,6-difluorophenol?
4-[4-[3-(2-aminoethoxy)phenyl]-3-pyridinyl]-2,6-difluorophenol has a molecular weight of 342.35 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(2-aminoethoxy)phenyl]-3-pyridinyl]-2,6-difluorophenol is sourced from PubChem (CID 122186021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).