2-fluoro-4-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]benzoic acid

C16H14FNO3 — CID 106698940

IUPAC2-fluoro-4-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]benzoic acid
SMILESO=C(O)c1ccc(Cn2c3c(ccc2=O)CCC3)cc1F
InChIInChI=1S/C16H14FNO3/c17-13-8-10(4-6-12(13)16(20)21)9-18-14-3-1-2-11(14)5-7-15(18)19/h4-8H,1-3,9H2,(H,20,21)
InChIKeyJONRZDLHHBCQEH-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.22
Rot. Bonds3

About 2-fluoro-4-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]benzoic acid

2-fluoro-4-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]benzoic acid (PubChem CID 106698940) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-fluoro-4-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]benzoic acid
PubChem CID106698940
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name2-fluoro-4-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]benzoic acid
SMILESO=C(O)c1ccc(Cn2c3c(ccc2=O)CCC3)cc1F
InChIInChI=1S/C16H14FNO3/c17-13-8-10(4-6-12(13)16(20)21)9-18-14-3-1-2-11(14)5-7-15(18)19/h4-8H,1-3,9H2,(H,20,21)
InChIKeyJONRZDLHHBCQEH-UHFFFAOYSA-N
XLogP2.22
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]benzoic acid?
The IUPAC name of 2-fluoro-4-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]benzoic acid (CID 106698940) is 2-fluoro-4-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]benzoic acid?
The canonical SMILES for 2-fluoro-4-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]benzoic acid is O=C(O)c1ccc(Cn2c3c(ccc2=O)CCC3)cc1F.
What is the InChIKey of 2-fluoro-4-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]benzoic acid?
The InChIKey is JONRZDLHHBCQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c17-13-8-10(4-6-12(13)16(20)21)9-18-14-3-1-2-11(14)5-7-15(18)19/h4-8H,1-3,9H2,(H,20,21).
What are the key properties of 2-fluoro-4-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]benzoic acid?
2-fluoro-4-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]benzoic acid has a molecular weight of 287.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]benzoic acid is sourced from PubChem (CID 106698940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).