(2R,4R)-1-(2,6-dichloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C11H10Cl2N2O4 — CID 114036820

IUPAC(2R,4R)-1-(2,6-dichloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C11H10Cl2N2O4/c12-8-2-1-6(9(13)14-8)10(17)15-4-5(16)3-7(15)11(18)19/h1-2,5,7,16H,3-4H2,(H,18,19)/t5-,7-/m1/s1
InChIKeyGRIGDKLSMARZOU-IYSWYEEDSA-N
MW305.12 g/mol
LogP1.05
Rot. Bonds2

About (2R,4R)-1-(2,6-dichloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2R,4R)-1-(2,6-dichloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 114036820) has the molecular formula C11H10Cl2N2O4 and a molecular weight of 305.12 g/mol. Its IUPAC name is (2R,4R)-1-(2,6-dichloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1-(2,6-dichloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID114036820
Molecular FormulaC11H10Cl2N2O4
Molecular Weight305.12 g/mol
Exact Mass304.00
IUPAC Name(2R,4R)-1-(2,6-dichloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C11H10Cl2N2O4/c12-8-2-1-6(9(13)14-8)10(17)15-4-5(16)3-7(15)11(18)19/h1-2,5,7,16H,3-4H2,(H,18,19)/t5-,7-/m1/s1
InChIKeyGRIGDKLSMARZOU-IYSWYEEDSA-N
XLogP1.05
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.05
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
(2S,4S)-1-(6-chloropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714061
1-(6-chloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356769
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
1-(4-bromo-2-chlorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43805416
1-(2-chloro-4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 16774023
1-(3-chloro-2-methylbenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 107095823
(2R,4R)-1-(2-chloro-5-fluoropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114036821
(2S,4R)-1-(4-chlorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30051868
(2R,4R)-1-(5-chloro-2-methylbenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 82883948
(2,6-dichloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106994520

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-(2,6-dichloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-1-(2,6-dichloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 114036820) is (2R,4R)-1-(2,6-dichloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-1-(2,6-dichloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-1-(2,6-dichloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(Cl)nc1Cl.
What is the InChIKey of (2R,4R)-1-(2,6-dichloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is GRIGDKLSMARZOU-IYSWYEEDSA-N. The full InChI is InChI=1S/C11H10Cl2N2O4/c12-8-2-1-6(9(13)14-8)10(17)15-4-5(16)3-7(15)11(18)19/h1-2,5,7,16H,3-4H2,(H,18,19)/t5-,7-/m1/s1.
What are the key properties of (2R,4R)-1-(2,6-dichloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2R,4R)-1-(2,6-dichloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 305.12 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-(2,6-dichloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114036820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).