(2R,4R)-1-(2-chloro-5-fluoropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C11H10ClFN2O4 — CID 114036821

IUPAC(2R,4R)-1-(2-chloro-5-fluoropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C11H10ClFN2O4/c12-9-7(1-5(13)3-14-9)10(17)15-4-6(16)2-8(15)11(18)19/h1,3,6,8,16H,2,4H2,(H,18,19)/t6-,8-/m1/s1
InChIKeyXJDDMWMCAUGAHN-HTRCEHHLSA-N
MW288.66 g/mol
LogP0.53
Rot. Bonds2

About (2R,4R)-1-(2-chloro-5-fluoropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2R,4R)-1-(2-chloro-5-fluoropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 114036821) has the molecular formula C11H10ClFN2O4 and a molecular weight of 288.66 g/mol. Its IUPAC name is (2R,4R)-1-(2-chloro-5-fluoropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1-(2-chloro-5-fluoropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID114036821
Molecular FormulaC11H10ClFN2O4
Molecular Weight288.66 g/mol
Exact Mass288.03
IUPAC Name(2R,4R)-1-(2-chloro-5-fluoropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C11H10ClFN2O4/c12-9-7(1-5(13)3-14-9)10(17)15-4-6(16)2-8(15)11(18)19/h1,3,6,8,16H,2,4H2,(H,18,19)/t6-,8-/m1/s1
InChIKeyXJDDMWMCAUGAHN-HTRCEHHLSA-N
XLogP0.53
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.66
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,6-dichloropyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356897
1-(2-chloro-4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 16774023
(2R,4R)-1-(5-fluoropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104638295
(2R,4R)-1-(2,6-dichloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114036820
4-hydroxy-1-(2,4,6-trifluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 65101284
1-(6-chloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356769
(2S,4S)-1-(5-fluoro-2-nitrobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714768
1-(4-chloro-2-hydroxybenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 24709404
(2S,4R)-1-(4-bromo-2-chlorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63856209
(2R,4R)-1-(5-chloro-2-methylbenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 82883948
1-(4-bromo-2-chlorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43805416
(2S)-1-(3,4-difluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61153392

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-(2-chloro-5-fluoropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-1-(2-chloro-5-fluoropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 114036821) is (2R,4R)-1-(2-chloro-5-fluoropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-1-(2-chloro-5-fluoropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-1-(2-chloro-5-fluoropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](O)CN1C(=O)c1cc(F)cnc1Cl.
What is the InChIKey of (2R,4R)-1-(2-chloro-5-fluoropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is XJDDMWMCAUGAHN-HTRCEHHLSA-N. The full InChI is InChI=1S/C11H10ClFN2O4/c12-9-7(1-5(13)3-14-9)10(17)15-4-6(16)2-8(15)11(18)19/h1,3,6,8,16H,2,4H2,(H,18,19)/t6-,8-/m1/s1.
What are the key properties of (2R,4R)-1-(2-chloro-5-fluoropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2R,4R)-1-(2-chloro-5-fluoropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 288.66 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-(2-chloro-5-fluoropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114036821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).