2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidine-1-carboxylic acid

C10H10ClFN2O2 — CID 146196818

IUPAC2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1c1cc(F)cnc1Cl
InChIInChI=1S/C10H10ClFN2O2/c11-9-7(4-6(12)5-13-9)8-2-1-3-14(8)10(15)16/h4-5,8H,1-3H2,(H,15,16)
InChIKeyIFZLQDISMXXTLX-UHFFFAOYSA-N
MW244.65 g/mol
LogP2.69
Rot. Bonds1

About 2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidine-1-carboxylic acid

2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidine-1-carboxylic acid (PubChem CID 146196818) has the molecular formula C10H10ClFN2O2 and a molecular weight of 244.65 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidine-1-carboxylic acid
PubChem CID146196818
Molecular FormulaC10H10ClFN2O2
Molecular Weight244.65 g/mol
Exact Mass244.04
IUPAC Name2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1c1cc(F)cnc1Cl
InChIInChI=1S/C10H10ClFN2O2/c11-9-7(4-6(12)5-13-9)8-2-1-3-14(8)10(15)16/h4-5,8H,1-3H2,(H,15,16)
InChIKeyIFZLQDISMXXTLX-UHFFFAOYSA-N
XLogP2.69
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.65
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidine-1-carboxylic acid (CID 146196818) is 2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidine-1-carboxylic acid is O=C(O)N1CCCC1c1cc(F)cnc1Cl.
What is the InChIKey of 2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidine-1-carboxylic acid?
The InChIKey is IFZLQDISMXXTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O2/c11-9-7(4-6(12)5-13-9)8-2-1-3-14(8)10(15)16/h4-5,8H,1-3H2,(H,15,16).
What are the key properties of 2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidine-1-carboxylic acid?
2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidine-1-carboxylic acid has a molecular weight of 244.65 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 146196818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).