diethyl 5-chloropyridine-2,3-dicarboxylate

C11H12ClNO4 — CID 14097638

IUPACdiethyl 5-chloropyridine-2,3-dicarboxylate
SMILESCCOC(=O)c1cc(Cl)cnc1C(=O)OCC
InChIInChI=1S/C11H12ClNO4/c1-3-16-10(14)8-5-7(12)6-13-9(8)11(15)17-4-2/h5-6H,3-4H2,1-2H3
InChIKeyQUCNBJWSTVVXMA-UHFFFAOYSA-N
MW257.67 g/mol
LogP2.09
Rot. Bonds4

About diethyl 5-chloropyridine-2,3-dicarboxylate

diethyl 5-chloropyridine-2,3-dicarboxylate (PubChem CID 14097638) has the molecular formula C11H12ClNO4 and a molecular weight of 257.67 g/mol. Its IUPAC name is diethyl 5-chloropyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-chloropyridine-2,3-dicarboxylate
PubChem CID14097638
Molecular FormulaC11H12ClNO4
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Namediethyl 5-chloropyridine-2,3-dicarboxylate
SMILESCCOC(=O)c1cc(Cl)cnc1C(=O)OCC
InChIInChI=1S/C11H12ClNO4/c1-3-16-10(14)8-5-7(12)6-13-9(8)11(15)17-4-2/h5-6H,3-4H2,1-2H3
InChIKeyQUCNBJWSTVVXMA-UHFFFAOYSA-N
XLogP2.09
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-ethoxycarbonylpyridine-3-carboxylic acid
CID 131431578
ethyl 3-acetamido-5-chloropyridine-2-carboxylate
CID 18980357
ethyl 5-chloro-2-cyclopropylpyridine-3-carboxylate
CID 112694248
diethyl 5-(bromomethyl)pyridine-2,3-dicarboxylate
CID 141448737
diethyl 5-propylpyridine-2,3-dicarboxylate
CID 14097634
diethyl pyrimidine-4,5-dicarboxylate
CID 13000769
ethyl 5-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate
CID 77174619
ethyl 3,5-dichloro-2-methylbenzoate
CID 82883321
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
ethyl 3,5-dichloropyrazine-2-carboxylate
CID 53419466
ethyl 3-chloro-5-methylpyrazine-2-carboxylate
CID 131280462
ethyl 3-(N-acetylanilino)-5-chloropyridine-2-carboxylate
CID 18980380

Frequently Asked Questions

What is the IUPAC name of diethyl 5-chloropyridine-2,3-dicarboxylate?
The IUPAC name of diethyl 5-chloropyridine-2,3-dicarboxylate (CID 14097638) is diethyl 5-chloropyridine-2,3-dicarboxylate.
What is the SMILES notation for diethyl 5-chloropyridine-2,3-dicarboxylate?
The canonical SMILES for diethyl 5-chloropyridine-2,3-dicarboxylate is CCOC(=O)c1cc(Cl)cnc1C(=O)OCC.
What is the InChIKey of diethyl 5-chloropyridine-2,3-dicarboxylate?
The InChIKey is QUCNBJWSTVVXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4/c1-3-16-10(14)8-5-7(12)6-13-9(8)11(15)17-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of diethyl 5-chloropyridine-2,3-dicarboxylate?
diethyl 5-chloropyridine-2,3-dicarboxylate has a molecular weight of 257.67 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-chloropyridine-2,3-dicarboxylate is sourced from PubChem (CID 14097638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).