6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylic acid

C20H16FNO5 — CID 118370671

IUPAC6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc([C@H](O)CO)n1
InChIInChI=1S/C20H16FNO5/c21-14-3-7-16(8-4-14)27-15-5-1-12(2-6-15)13-9-17(19(24)11-23)22-18(10-13)20(25)26/h1-10,19,23-24H,11H2,(H,25,26)/t19-/m1/s1
InChIKeyOJNPQTGUPQFGFO-LJQANCHMSA-N
MW369.35 g/mol
LogP3.40
Rot. Bonds6

About 6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylic acid

6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylic acid (PubChem CID 118370671) has the molecular formula C20H16FNO5 and a molecular weight of 369.35 g/mol. Its IUPAC name is 6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylic acid
PubChem CID118370671
Molecular FormulaC20H16FNO5
Molecular Weight369.35 g/mol
Exact Mass369.10
IUPAC Name6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc([C@H](O)CO)n1
InChIInChI=1S/C20H16FNO5/c21-14-3-7-16(8-4-14)27-15-5-1-12(2-6-15)13-9-17(19(24)11-23)22-18(10-13)20(25)26/h1-10,19,23-24H,11H2,(H,25,26)/t19-/m1/s1
InChIKeyOJNPQTGUPQFGFO-LJQANCHMSA-N
XLogP3.40
TPSA99.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylic acid (CID 118370671) is 6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylic acid is O=C(O)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc([C@H](O)CO)n1.
What is the InChIKey of 6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylic acid?
The InChIKey is OJNPQTGUPQFGFO-LJQANCHMSA-N. The full InChI is InChI=1S/C20H16FNO5/c21-14-3-7-16(8-4-14)27-15-5-1-12(2-6-15)13-9-17(19(24)11-23)22-18(10-13)20(25)26/h1-10,19,23-24H,11H2,(H,25,26)/t19-/m1/s1.
What are the key properties of 6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylic acid?
6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylic acid has a molecular weight of 369.35 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 118370671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).