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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Related Compounds

2-chloro-6-(3-methylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 43166580
2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 63620736
2-chloro-6-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 168703795
2-chloro-6-(1,4-oxazepan-4-yl)pyridine-4-carboxylic acid
CID 55139980
2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 106587160
2-chloro-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 60973947
2-chloro-6-[3-(methylaminomethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 61404286
2-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid
CID 82691470
2,6-dichloropyridine-4-carboxylic acid;iron
CID 174504494
2-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carboxylic acid
CID 63024771
methyl 2-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-4-carboxylate
CID 126600693
[1-(4-carbamoyl-6-chloro-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 87504353

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).