2-chloro-6-(3,4-dihydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid

C10H11ClN2O4 — CID 106669843

IUPAC2-chloro-6-(3,4-dihydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(N2CC(O)C(O)C2)c1
InChIInChI=1S/C10H11ClN2O4/c11-8-1-5(10(16)17)2-9(12-8)13-3-6(14)7(15)4-13/h1-2,6-7,14-15H,3-4H2,(H,16,17)
InChIKeySVXARVUUNUCABS-UHFFFAOYSA-N
MW258.66 g/mol
LogP-0.03
Rot. Bonds2

About 2-chloro-6-(3,4-dihydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid

2-chloro-6-(3,4-dihydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid (PubChem CID 106669843) has the molecular formula C10H11ClN2O4 and a molecular weight of 258.66 g/mol. Its IUPAC name is 2-chloro-6-(3,4-dihydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(3,4-dihydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid
PubChem CID106669843
Molecular FormulaC10H11ClN2O4
Molecular Weight258.66 g/mol
Exact Mass258.04
IUPAC Name2-chloro-6-(3,4-dihydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(N2CC(O)C(O)C2)c1
InChIInChI=1S/C10H11ClN2O4/c11-8-1-5(10(16)17)2-9(12-8)13-3-6(14)7(15)4-13/h1-2,6-7,14-15H,3-4H2,(H,16,17)
InChIKeySVXARVUUNUCABS-UHFFFAOYSA-N
XLogP-0.03
TPSA93.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3,4-dihydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(3,4-dihydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid (CID 106669843) is 2-chloro-6-(3,4-dihydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(3,4-dihydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(3,4-dihydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(N2CC(O)C(O)C2)c1.
What is the InChIKey of 2-chloro-6-(3,4-dihydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid?
The InChIKey is SVXARVUUNUCABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4/c11-8-1-5(10(16)17)2-9(12-8)13-3-6(14)7(15)4-13/h1-2,6-7,14-15H,3-4H2,(H,16,17).
What are the key properties of 2-chloro-6-(3,4-dihydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid?
2-chloro-6-(3,4-dihydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid has a molecular weight of 258.66 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3,4-dihydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 106669843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).