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

C10H10ClFN2O2 — CID 67775751

IUPAC(2S)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1c1ncc(Cl)cc1F
InChIInChI=1S/C10H10ClFN2O2/c11-6-4-7(12)9(13-5-6)14-3-1-2-8(14)10(15)16/h4-5,8H,1-3H2,(H,15,16)/t8-/m0/s1
InChIKeyCGJXFFKQHIWNHG-QMMMGPOBSA-N
MW244.65 g/mol
LogP1.93
Rot. Bonds2

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

(2S)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidine-2-carboxylic acid (PubChem CID 67775751) has the molecular formula C10H10ClFN2O2 and a molecular weight of 244.65 g/mol. Its IUPAC name is (2S)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidine-2-carboxylic acid
PubChem CID67775751
Molecular FormulaC10H10ClFN2O2
Molecular Weight244.65 g/mol
Exact Mass244.04
IUPAC Name(2S)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1c1ncc(Cl)cc1F
InChIInChI=1S/C10H10ClFN2O2/c11-6-4-7(12)9(13-5-6)14-3-1-2-8(14)10(15)16/h4-5,8H,1-3H2,(H,15,16)/t8-/m0/s1
InChIKeyCGJXFFKQHIWNHG-QMMMGPOBSA-N
XLogP1.93
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.65
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidine-2-carboxylic acid (CID 67775751) is (2S)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1c1ncc(Cl)cc1F.
What is the InChIKey of (2S)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The InChIKey is CGJXFFKQHIWNHG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H10ClFN2O2/c11-6-4-7(12)9(13-5-6)14-3-1-2-8(14)10(15)16/h4-5,8H,1-3H2,(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidine-2-carboxylic acid has a molecular weight of 244.65 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67775751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).