4-fluoro-6-methoxycarbonyl-5,7-dihydrocyclopenta[b]pyridine-6-carboxylic acid

C11H10FNO4 — CID 175351421

IUPAC4-fluoro-6-methoxycarbonyl-5,7-dihydrocyclopenta[b]pyridine-6-carboxylic acid
SMILESCOC(=O)C1(C(=O)O)Cc2nccc(F)c2C1
InChIInChI=1S/C11H10FNO4/c1-17-10(16)11(9(14)15)4-6-7(12)2-3-13-8(6)5-11/h2-3H,4-5H2,1H3,(H,14,15)
InChIKeyXIWQRFJBSSJKEF-UHFFFAOYSA-N
MW239.20 g/mol
LogP0.56
Rot. Bonds2

About 4-fluoro-6-methoxycarbonyl-5,7-dihydrocyclopenta[b]pyridine-6-carboxylic acid

4-fluoro-6-methoxycarbonyl-5,7-dihydrocyclopenta[b]pyridine-6-carboxylic acid (PubChem CID 175351421) has the molecular formula C11H10FNO4 and a molecular weight of 239.20 g/mol. Its IUPAC name is 4-fluoro-6-methoxycarbonyl-5,7-dihydrocyclopenta[b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-6-methoxycarbonyl-5,7-dihydrocyclopenta[b]pyridine-6-carboxylic acid
PubChem CID175351421
Molecular FormulaC11H10FNO4
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name4-fluoro-6-methoxycarbonyl-5,7-dihydrocyclopenta[b]pyridine-6-carboxylic acid
SMILESCOC(=O)C1(C(=O)O)Cc2nccc(F)c2C1
InChIInChI=1S/C11H10FNO4/c1-17-10(16)11(9(14)15)4-6-7(12)2-3-13-8(6)5-11/h2-3H,4-5H2,1H3,(H,14,15)
InChIKeyXIWQRFJBSSJKEF-UHFFFAOYSA-N
XLogP0.56
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methoxycarbonyl-5,7-dihydrocyclopenta[b]pyridine-6-carboxylic acid?
The IUPAC name of 4-fluoro-6-methoxycarbonyl-5,7-dihydrocyclopenta[b]pyridine-6-carboxylic acid (CID 175351421) is 4-fluoro-6-methoxycarbonyl-5,7-dihydrocyclopenta[b]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-fluoro-6-methoxycarbonyl-5,7-dihydrocyclopenta[b]pyridine-6-carboxylic acid?
The canonical SMILES for 4-fluoro-6-methoxycarbonyl-5,7-dihydrocyclopenta[b]pyridine-6-carboxylic acid is COC(=O)C1(C(=O)O)Cc2nccc(F)c2C1.
What is the InChIKey of 4-fluoro-6-methoxycarbonyl-5,7-dihydrocyclopenta[b]pyridine-6-carboxylic acid?
The InChIKey is XIWQRFJBSSJKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO4/c1-17-10(16)11(9(14)15)4-6-7(12)2-3-13-8(6)5-11/h2-3H,4-5H2,1H3,(H,14,15).
What are the key properties of 4-fluoro-6-methoxycarbonyl-5,7-dihydrocyclopenta[b]pyridine-6-carboxylic acid?
4-fluoro-6-methoxycarbonyl-5,7-dihydrocyclopenta[b]pyridine-6-carboxylic acid has a molecular weight of 239.20 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methoxycarbonyl-5,7-dihydrocyclopenta[b]pyridine-6-carboxylic acid is sourced from PubChem (CID 175351421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).