ethyl 3-acetamido-5-chloropyridine-2-carboxylate

C10H11ClN2O3 — CID 18980357

IUPACethyl 3-acetamido-5-chloropyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(Cl)cc1NC(C)=O
InChIInChI=1S/C10H11ClN2O3/c1-3-16-10(15)9-8(13-6(2)14)4-7(11)5-12-9/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeyFXVOHJHUSCYBDP-UHFFFAOYSA-N
MW242.66 g/mol
LogP1.87
Rot. Bonds3

About ethyl 3-acetamido-5-chloropyridine-2-carboxylate

ethyl 3-acetamido-5-chloropyridine-2-carboxylate (PubChem CID 18980357) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is ethyl 3-acetamido-5-chloropyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-acetamido-5-chloropyridine-2-carboxylate
PubChem CID18980357
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Nameethyl 3-acetamido-5-chloropyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(Cl)cc1NC(C)=O
InChIInChI=1S/C10H11ClN2O3/c1-3-16-10(15)9-8(13-6(2)14)4-7(11)5-12-9/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeyFXVOHJHUSCYBDP-UHFFFAOYSA-N
XLogP1.87
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-acetamido-5-chloropyridine-2-carboxylate?
The IUPAC name of ethyl 3-acetamido-5-chloropyridine-2-carboxylate (CID 18980357) is ethyl 3-acetamido-5-chloropyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-acetamido-5-chloropyridine-2-carboxylate?
The canonical SMILES for ethyl 3-acetamido-5-chloropyridine-2-carboxylate is CCOC(=O)c1ncc(Cl)cc1NC(C)=O.
What is the InChIKey of ethyl 3-acetamido-5-chloropyridine-2-carboxylate?
The InChIKey is FXVOHJHUSCYBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c1-3-16-10(15)9-8(13-6(2)14)4-7(11)5-12-9/h4-5H,3H2,1-2H3,(H,13,14).
What are the key properties of ethyl 3-acetamido-5-chloropyridine-2-carboxylate?
ethyl 3-acetamido-5-chloropyridine-2-carboxylate has a molecular weight of 242.66 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-acetamido-5-chloropyridine-2-carboxylate is sourced from PubChem (CID 18980357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).