methyl 4-(1,2-dihydroxyethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate

C21H18FNO5 — CID 66668465

IUPACmethyl 4-(1,2-dihydroxyethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(C(O)CO)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C21H18FNO5/c1-27-21(26)19-11-14(20(25)12-24)10-18(23-19)13-2-6-16(7-3-13)28-17-8-4-15(22)5-9-17/h2-11,20,24-25H,12H2,1H3
InChIKeyGPTQPHGVEQWFTF-UHFFFAOYSA-N
MW383.38 g/mol
LogP3.49
Rot. Bonds6

About methyl 4-(1,2-dihydroxyethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate

methyl 4-(1,2-dihydroxyethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate (PubChem CID 66668465) has the molecular formula C21H18FNO5 and a molecular weight of 383.38 g/mol. Its IUPAC name is methyl 4-(1,2-dihydroxyethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1,2-dihydroxyethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate
PubChem CID66668465
Molecular FormulaC21H18FNO5
Molecular Weight383.38 g/mol
Exact Mass383.12
IUPAC Namemethyl 4-(1,2-dihydroxyethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(C(O)CO)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C21H18FNO5/c1-27-21(26)19-11-14(20(25)12-24)10-18(23-19)13-2-6-16(7-3-13)28-17-8-4-15(22)5-9-17/h2-11,20,24-25H,12H2,1H3
InChIKeyGPTQPHGVEQWFTF-UHFFFAOYSA-N
XLogP3.49
TPSA88.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-(1,2-dihydroxyethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate 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 methyl 4-(1,2-dihydroxyethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-(1,2-dihydroxyethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate (CID 66668465) is methyl 4-(1,2-dihydroxyethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(1,2-dihydroxyethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(1,2-dihydroxyethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate is COC(=O)c1cc(C(O)CO)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of methyl 4-(1,2-dihydroxyethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate?
The InChIKey is GPTQPHGVEQWFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO5/c1-27-21(26)19-11-14(20(25)12-24)10-18(23-19)13-2-6-16(7-3-13)28-17-8-4-15(22)5-9-17/h2-11,20,24-25H,12H2,1H3.
What are the key properties of methyl 4-(1,2-dihydroxyethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate?
methyl 4-(1,2-dihydroxyethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate has a molecular weight of 383.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1,2-dihydroxyethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 66668465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).