3-[(6-chloropyridine-3-carbonyl)amino]oxolane-3-carboxylic acid

C11H11ClN2O4 — CID 64888056

IUPAC3-[(6-chloropyridine-3-carbonyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1ccc(Cl)nc1
InChIInChI=1S/C11H11ClN2O4/c12-8-2-1-7(5-13-8)9(15)14-11(10(16)17)3-4-18-6-11/h1-2,5H,3-4,6H2,(H,14,15)(H,16,17)
InChIKeyMPAMNXKVCOYPGF-UHFFFAOYSA-N
MW270.67 g/mol
LogP0.71
Rot. Bonds3

About 3-[(6-chloropyridine-3-carbonyl)amino]oxolane-3-carboxylic acid

3-[(6-chloropyridine-3-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 64888056) has the molecular formula C11H11ClN2O4 and a molecular weight of 270.67 g/mol. Its IUPAC name is 3-[(6-chloropyridine-3-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(6-chloropyridine-3-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID64888056
Molecular FormulaC11H11ClN2O4
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name3-[(6-chloropyridine-3-carbonyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1ccc(Cl)nc1
InChIInChI=1S/C11H11ClN2O4/c12-8-2-1-7(5-13-8)9(15)14-11(10(16)17)3-4-18-6-11/h1-2,5H,3-4,6H2,(H,14,15)(H,16,17)
InChIKeyMPAMNXKVCOYPGF-UHFFFAOYSA-N
XLogP0.71
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 50.71
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

3-[[4-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid
CID 64890394
3-[(5-fluoropyridine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 104638297
methyl 1-[(6-chloropyridine-3-carbonyl)amino]cyclopropane-1-carboxylate
CID 117062757
3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 59621215
3-[(5-carbamoyl-2-pyridinyl)amino]oxolane-3-carboxylic acid
CID 64888492
(3S)-3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 59621148
(3S)-3-[(3,5-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 141279182
3-[(4-hydroxy-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 107674961
3-[(3-methoxy-4-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 64889609
3-[(4-prop-2-enoxybenzoyl)amino]oxolane-3-carboxylic acid
CID 64889021
3-[(3,5-dibromobenzoyl)amino]oxolane-3-carboxylic acid
CID 107971497
4-[(6-chloropyridazine-3-carbonyl)amino]oxane-4-carboxylic acid
CID 114037097

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloropyridine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(6-chloropyridine-3-carbonyl)amino]oxolane-3-carboxylic acid (CID 64888056) is 3-[(6-chloropyridine-3-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(6-chloropyridine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(6-chloropyridine-3-carbonyl)amino]oxolane-3-carboxylic acid is O=C(NC1(C(=O)O)CCOC1)c1ccc(Cl)nc1.
What is the InChIKey of 3-[(6-chloropyridine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is MPAMNXKVCOYPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O4/c12-8-2-1-7(5-13-8)9(15)14-11(10(16)17)3-4-18-6-11/h1-2,5H,3-4,6H2,(H,14,15)(H,16,17).
What are the key properties of 3-[(6-chloropyridine-3-carbonyl)amino]oxolane-3-carboxylic acid?
3-[(6-chloropyridine-3-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 270.67 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloropyridine-3-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64888056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).