2-chloro-6-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid

C10H9ClN2O4 — CID 168703795

IUPAC2-chloro-6-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(N2CC(O)CC2=O)c1
InChIInChI=1S/C10H9ClN2O4/c11-7-1-5(10(16)17)2-8(12-7)13-4-6(14)3-9(13)15/h1-2,6,14H,3-4H2,(H,16,17)
InChIKeyVPULOSQBEHVOJC-UHFFFAOYSA-N
MW256.64 g/mol
LogP0.53
Rot. Bonds2

About 2-chloro-6-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid

2-chloro-6-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid (PubChem CID 168703795) has the molecular formula C10H9ClN2O4 and a molecular weight of 256.64 g/mol. Its IUPAC name is 2-chloro-6-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid
PubChem CID168703795
Molecular FormulaC10H9ClN2O4
Molecular Weight256.64 g/mol
Exact Mass256.03
IUPAC Name2-chloro-6-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(N2CC(O)CC2=O)c1
InChIInChI=1S/C10H9ClN2O4/c11-7-1-5(10(16)17)2-8(12-7)13-4-6(14)3-9(13)15/h1-2,6,14H,3-4H2,(H,16,17)
InChIKeyVPULOSQBEHVOJC-UHFFFAOYSA-N
XLogP0.53
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.64
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

2-chloro-6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 168677514
2-chloro-6-(3,4-dihydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 106669843
1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703824
2-chloro-6-(3-methylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 43166580
4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703419
2-chloro-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 60973947
3-amino-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-methylbenzoic acid
CID 168702448
2-(4-hydroxy-2-oxopyrrolidin-1-yl)terephthalic acid
CID 168703296
2,6-dichloropyridine-4-carboxylic acid;iron
CID 174504494
1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168703639
1-(3,6-dichloropyridazin-4-yl)-4-hydroxypyrrolidin-2-one
CID 168703833
2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 63620736

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid (CID 168703795) is 2-chloro-6-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(N2CC(O)CC2=O)c1.
What is the InChIKey of 2-chloro-6-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid?
The InChIKey is VPULOSQBEHVOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O4/c11-7-1-5(10(16)17)2-8(12-7)13-4-6(14)3-9(13)15/h1-2,6,14H,3-4H2,(H,16,17).
What are the key properties of 2-chloro-6-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid?
2-chloro-6-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid has a molecular weight of 256.64 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 2-chloro-6-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 168703795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).