1-(2-fluorophenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

C17H15FN2O3 — CID 118111745

IUPAC1-(2-fluorophenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1(C(=O)c2cccnc2)CCCN1c1ccccc1F
InChIInChI=1S/C17H15FN2O3/c18-13-6-1-2-7-14(13)20-10-4-8-17(20,16(22)23)15(21)12-5-3-9-19-11-12/h1-3,5-7,9,11H,4,8,10H2,(H,22,23)
InChIKeyRJBAWVRKKHHJOT-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.53
Rot. Bonds4

About 1-(2-fluorophenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

1-(2-fluorophenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 118111745) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID118111745
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name1-(2-fluorophenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1(C(=O)c2cccnc2)CCCN1c1ccccc1F
InChIInChI=1S/C17H15FN2O3/c18-13-6-1-2-7-14(13)20-10-4-8-17(20,16(22)23)15(21)12-5-3-9-19-11-12/h1-3,5-7,9,11H,4,8,10H2,(H,22,23)
InChIKeyRJBAWVRKKHHJOT-UHFFFAOYSA-N
XLogP2.53
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.53
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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Related Compounds

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CP 67015
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CID 46190807
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CID 175565
8-Fluoro-4-oxo-1-[(6-phenyl-3-pyridinyl)methyl]quinoline-3-carboxylic acid
CID 44477152
8-Fluoro-4-oxo-1-[(6-pyridin-3-yl-3-pyridinyl)methyl]quinoline-3-carboxylic acid
CID 44477153
8-Fluoro-1-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 44477154
8-Fluoro-4-oxo-1-[(5-phenyl-2-pyridinyl)methyl]quinoline-3-carboxylic acid
CID 46224956
8-Fluoro-1-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 46224982
8-Fluoro-4-oxo-1-[(5-pyridin-3-yl-2-pyridinyl)methyl]quinoline-3-carboxylic acid
CID 46225041

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-fluorophenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 118111745) is 1-(2-fluorophenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-fluorophenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1(C(=O)c2cccnc2)CCCN1c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is RJBAWVRKKHHJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c18-13-6-1-2-7-14(13)20-10-4-8-17(20,16(22)23)15(21)12-5-3-9-19-11-12/h1-3,5-7,9,11H,4,8,10H2,(H,22,23).
What are the key properties of 1-(2-fluorophenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
1-(2-fluorophenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 314.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 118111745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).