6-(4-fluoro-3-methylphenoxy)-5H-cyclopenta[b]pyridine-4-carboxylic acid

C16H12FNO3 — CID 153232939

IUPAC6-(4-fluoro-3-methylphenoxy)-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCc1cc(OC2=Cc3nccc(C(=O)O)c3C2)ccc1F
InChIInChI=1S/C16H12FNO3/c1-9-6-10(2-3-14(9)17)21-11-7-13-12(16(19)20)4-5-18-15(13)8-11/h2-6,8H,7H2,1H3,(H,19,20)
InChIKeyWPXXKPGSCQSDLA-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.20
Rot. Bonds3

About 6-(4-fluoro-3-methylphenoxy)-5H-cyclopenta[b]pyridine-4-carboxylic acid

6-(4-fluoro-3-methylphenoxy)-5H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 153232939) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 6-(4-fluoro-3-methylphenoxy)-5H-cyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(4-fluoro-3-methylphenoxy)-5H-cyclopenta[b]pyridine-4-carboxylic acid
PubChem CID153232939
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name6-(4-fluoro-3-methylphenoxy)-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCc1cc(OC2=Cc3nccc(C(=O)O)c3C2)ccc1F
InChIInChI=1S/C16H12FNO3/c1-9-6-10(2-3-14(9)17)21-11-7-13-12(16(19)20)4-5-18-15(13)8-11/h2-6,8H,7H2,1H3,(H,19,20)
InChIKeyWPXXKPGSCQSDLA-UHFFFAOYSA-N
XLogP3.20
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-3-methylphenoxy)-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(4-fluoro-3-methylphenoxy)-5H-cyclopenta[b]pyridine-4-carboxylic acid (CID 153232939) is 6-(4-fluoro-3-methylphenoxy)-5H-cyclopenta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(4-fluoro-3-methylphenoxy)-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(4-fluoro-3-methylphenoxy)-5H-cyclopenta[b]pyridine-4-carboxylic acid is Cc1cc(OC2=Cc3nccc(C(=O)O)c3C2)ccc1F.
What is the InChIKey of 6-(4-fluoro-3-methylphenoxy)-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The InChIKey is WPXXKPGSCQSDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c1-9-6-10(2-3-14(9)17)21-11-7-13-12(16(19)20)4-5-18-15(13)8-11/h2-6,8H,7H2,1H3,(H,19,20).
What are the key properties of 6-(4-fluoro-3-methylphenoxy)-5H-cyclopenta[b]pyridine-4-carboxylic acid?
6-(4-fluoro-3-methylphenoxy)-5H-cyclopenta[b]pyridine-4-carboxylic acid has a molecular weight of 285.27 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-3-methylphenoxy)-5H-cyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 153232939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).