(2S,4S)-1-(6-chloropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C11H11ClN2O4 — CID 64714061

IUPAC(2S,4S)-1-(6-chloropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)CN1C(=O)c1cccc(Cl)n1
InChIInChI=1S/C11H11ClN2O4/c12-9-3-1-2-7(13-9)10(16)14-5-6(15)4-8(14)11(17)18/h1-3,6,8,15H,4-5H2,(H,17,18)/t6-,8-/m0/s1
InChIKeyRXBHHIZIKOXDLD-XPUUQOCRSA-N
MW270.67 g/mol
LogP0.40
Rot. Bonds2

About (2S,4S)-1-(6-chloropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4S)-1-(6-chloropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 64714061) has the molecular formula C11H11ClN2O4 and a molecular weight of 270.67 g/mol. Its IUPAC name is (2S,4S)-1-(6-chloropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-1-(6-chloropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID64714061
Molecular FormulaC11H11ClN2O4
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name(2S,4S)-1-(6-chloropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)CN1C(=O)c1cccc(Cl)n1
InChIInChI=1S/C11H11ClN2O4/c12-9-3-1-2-7(13-9)10(16)14-5-6(15)4-8(14)11(17)18/h1-3,6,8,15H,4-5H2,(H,17,18)/t6-,8-/m0/s1
InChIKeyRXBHHIZIKOXDLD-XPUUQOCRSA-N
XLogP0.40
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 50.40
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

(2R,4R)-1-(2,6-dichloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114036820
1-(6-chloropyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 62241098
1-(6-chloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356769
(2S)-4-hydroxy-1-(quinoxaline-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61153107
1-(3-chloro-2-methylbenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 107095823
(2S,4R)-1-(4-chlorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30051868
(2S,4R)-4-hydroxy-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 63858178
1-(3,6-dichloropyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356897
(6-chloro-2-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114592936
(2R,4R)-1-(5-fluoropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104638295
(2S,4R)-1-(4,6-dimethylpyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114269502
(2S)-4-hydroxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 65199509

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(6-chloropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-1-(6-chloropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 64714061) is (2S,4S)-1-(6-chloropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-1-(6-chloropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-1-(6-chloropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](O)CN1C(=O)c1cccc(Cl)n1.
What is the InChIKey of (2S,4S)-1-(6-chloropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is RXBHHIZIKOXDLD-XPUUQOCRSA-N. The full InChI is InChI=1S/C11H11ClN2O4/c12-9-3-1-2-7(13-9)10(16)14-5-6(15)4-8(14)11(17)18/h1-3,6,8,15H,4-5H2,(H,17,18)/t6-,8-/m0/s1.
What are the key properties of (2S,4S)-1-(6-chloropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4S)-1-(6-chloropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 270.67 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(6-chloropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 64714061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).