(1S)-1-[2-amino-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol

C19H17FN2O3 — CID 66806389

IUPAC(1S)-1-[2-amino-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol
SMILESNc1cc([C@H](O)CO)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C19H17FN2O3/c20-14-3-7-16(8-4-14)25-15-5-1-12(2-6-15)17-9-13(18(24)11-23)10-19(21)22-17/h1-10,18,23-24H,11H2,(H2,21,22)/t18-/m1/s1
InChIKeyFTQNXFWIMPVWKE-GOSISDBHSA-N
MW340.35 g/mol
LogP3.29
Rot. Bonds5

About (1S)-1-[2-amino-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol

(1S)-1-[2-amino-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol (PubChem CID 66806389) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is (1S)-1-[2-amino-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-[2-amino-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol
PubChem CID66806389
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name(1S)-1-[2-amino-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol
SMILESNc1cc([C@H](O)CO)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C19H17FN2O3/c20-14-3-7-16(8-4-14)25-15-5-1-12(2-6-15)17-9-13(18(24)11-23)10-19(21)22-17/h1-10,18,23-24H,11H2,(H2,21,22)/t18-/m1/s1
InChIKeyFTQNXFWIMPVWKE-GOSISDBHSA-N
XLogP3.29
TPSA88.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (1S)-1-[2-amino-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-amino-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol?
The IUPAC name of (1S)-1-[2-amino-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol (CID 66806389) is (1S)-1-[2-amino-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol.
What is the SMILES notation for (1S)-1-[2-amino-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol?
The canonical SMILES for (1S)-1-[2-amino-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol is Nc1cc([C@H](O)CO)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of (1S)-1-[2-amino-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol?
The InChIKey is FTQNXFWIMPVWKE-GOSISDBHSA-N. The full InChI is InChI=1S/C19H17FN2O3/c20-14-3-7-16(8-4-14)25-15-5-1-12(2-6-15)17-9-13(18(24)11-23)10-19(21)22-17/h1-10,18,23-24H,11H2,(H2,21,22)/t18-/m1/s1.
What are the key properties of (1S)-1-[2-amino-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol?
(1S)-1-[2-amino-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol has a molecular weight of 340.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-amino-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol is sourced from PubChem (CID 66806389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).