1-(6-chloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C11H11ClN2O4 — CID 43356769

IUPAC1-(6-chloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H11ClN2O4/c12-9-2-1-6(4-13-9)10(16)14-5-7(15)3-8(14)11(17)18/h1-2,4,7-8,15H,3,5H2,(H,17,18)
InChIKeyXUKUBDHCRWLDRW-UHFFFAOYSA-N
MW270.67 g/mol
LogP0.40
Rot. Bonds2

About 1-(6-chloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

1-(6-chloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 43356769) has the molecular formula C11H11ClN2O4 and a molecular weight of 270.67 g/mol. Its IUPAC name is 1-(6-chloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-chloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID43356769
Molecular FormulaC11H11ClN2O4
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name1-(6-chloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H11ClN2O4/c12-9-2-1-6(4-13-9)10(16)14-5-7(15)3-8(14)11(17)18/h1-2,4,7-8,15H,3,5H2,(H,17,18)
InChIKeyXUKUBDHCRWLDRW-UHFFFAOYSA-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

(2S,4R)-1-(4-chlorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30051868
(2R,4R)-1-(2,6-dichloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114036820
(6-chloro-3-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone
CID 63106950
(2S,4S)-1-(4-chloro-3-methylbenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113397107
(2S)-1-(3,4-difluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61153392
(2S,4S)-1-(6-chloropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714061
(2R,4R)-4-hydroxy-1-(4-methylsulfanylbenzoyl)pyrrolidine-2-carboxylic acid
CID 79000986
(2S,4R)-1-[4-(aminomethyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 55261895
(2S)-1-(4-cyanobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61152938
(2S,4S)-1-(3,4-dimethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30073924
1-(4-acetamidobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356772
(2S,4S)-1-(3-bromo-5-chlorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114018207

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(6-chloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 43356769) is 1-(6-chloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(6-chloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(6-chloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)c1ccc(Cl)nc1.
What is the InChIKey of 1-(6-chloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is XUKUBDHCRWLDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O4/c12-9-2-1-6(4-13-9)10(16)14-5-7(15)3-8(14)11(17)18/h1-2,4,7-8,15H,3,5H2,(H,17,18).
What are the key properties of 1-(6-chloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
1-(6-chloropyridine-3-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 1-(6-chloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43356769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).