(2-oxooxolan-3-yl) 5,6-dichloropyridine-3-carboxylate

C10H7Cl2NO4 — CID 18777061

IUPAC(2-oxooxolan-3-yl) 5,6-dichloropyridine-3-carboxylate
SMILESO=C(OC1CCOC1=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H7Cl2NO4/c11-6-3-5(4-13-8(6)12)9(14)17-7-1-2-16-10(7)15/h3-4,7H,1-2H2
InChIKeyNFNNNRAYEGTFBK-UHFFFAOYSA-N
MW276.07 g/mol
LogP1.86
Rot. Bonds2

About (2-oxooxolan-3-yl) 5,6-dichloropyridine-3-carboxylate

(2-oxooxolan-3-yl) 5,6-dichloropyridine-3-carboxylate (PubChem CID 18777061) has the molecular formula C10H7Cl2NO4 and a molecular weight of 276.07 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 5,6-dichloropyridine-3-carboxylate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 5,6-dichloropyridine-3-carboxylate
PubChem CID18777061
Molecular FormulaC10H7Cl2NO4
Molecular Weight276.07 g/mol
Exact Mass274.98
IUPAC Name(2-oxooxolan-3-yl) 5,6-dichloropyridine-3-carboxylate
SMILESO=C(OC1CCOC1=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H7Cl2NO4/c11-6-3-5(4-13-8(6)12)9(14)17-7-1-2-16-10(7)15/h3-4,7H,1-2H2
InChIKeyNFNNNRAYEGTFBK-UHFFFAOYSA-N
XLogP1.86
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.07
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2-oxooxolan-3-yl) 5,6-dichloropyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-2-oxooxolan-3-yl] 4-chlorobenzoate
CID 2380151
[(3S)-2-oxooxolan-3-yl] 3,4,5-trichloropyridine-2-carboxylate
CID 7351756
(4-methylcyclohexyl) 5,6-dichloropyridine-3-carboxylate
CID 60715637
(4,4-dimethylcyclohexyl) 5,6-dichloropyridine-3-carboxylate
CID 114342667
[(3S)-2-oxooxolan-3-yl] 2,3,6-trichlorobenzoate
CID 2469357
[(3S)-2-oxooxolan-3-yl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate
CID 2120682
[(3S)-2-oxooxolan-3-yl] 2-chloro-5-methylsulfonylbenzoate
CID 2502939
3-(2-oxooxolan-3-yl)oxycarbonylbenzenesulfonic acid
CID 90246272
[(3R)-2-oxooxolan-3-yl] 4-acetamidobenzoate
CID 2122814
[(3R)-2-oxooxolan-3-yl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate
CID 40985896
(2-oxooxolan-3-yl) 3-[(3-chlorophenyl)sulfamoyl]benzoate
CID 3903758
2,2-difluoro-2-[4-(2-oxooxolan-3-yl)oxycarbonylphenoxy]acetic acid
CID 164746948

Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 5,6-dichloropyridine-3-carboxylate?
The IUPAC name of (2-oxooxolan-3-yl) 5,6-dichloropyridine-3-carboxylate (CID 18777061) is (2-oxooxolan-3-yl) 5,6-dichloropyridine-3-carboxylate.
What is the SMILES notation for (2-oxooxolan-3-yl) 5,6-dichloropyridine-3-carboxylate?
The canonical SMILES for (2-oxooxolan-3-yl) 5,6-dichloropyridine-3-carboxylate is O=C(OC1CCOC1=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of (2-oxooxolan-3-yl) 5,6-dichloropyridine-3-carboxylate?
The InChIKey is NFNNNRAYEGTFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO4/c11-6-3-5(4-13-8(6)12)9(14)17-7-1-2-16-10(7)15/h3-4,7H,1-2H2.
What are the key properties of (2-oxooxolan-3-yl) 5,6-dichloropyridine-3-carboxylate?
(2-oxooxolan-3-yl) 5,6-dichloropyridine-3-carboxylate has a molecular weight of 276.07 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 5,6-dichloropyridine-3-carboxylate is sourced from PubChem (CID 18777061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).