ethyl 4-chloro-1-methyl-6-oxopyridine-3-carboxylate

C9H10ClNO3 — CID 11615451

IUPACethyl 4-chloro-1-methyl-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1cn(C)c(=O)cc1Cl
InChIInChI=1S/C9H10ClNO3/c1-3-14-9(13)6-5-11(2)8(12)4-7(6)10/h4-5H,3H2,1-2H3
InChIKeyWGSWOEOJYNQPRP-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.22
Rot. Bonds2

About ethyl 4-chloro-1-methyl-6-oxopyridine-3-carboxylate

ethyl 4-chloro-1-methyl-6-oxopyridine-3-carboxylate (PubChem CID 11615451) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is ethyl 4-chloro-1-methyl-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-1-methyl-6-oxopyridine-3-carboxylate
PubChem CID11615451
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Nameethyl 4-chloro-1-methyl-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1cn(C)c(=O)cc1Cl
InChIInChI=1S/C9H10ClNO3/c1-3-14-9(13)6-5-11(2)8(12)4-7(6)10/h4-5H,3H2,1-2H3
InChIKeyWGSWOEOJYNQPRP-UHFFFAOYSA-N
XLogP1.22
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-1-methyl-6-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 4-chloro-1-methyl-6-oxopyridine-3-carboxylate (CID 11615451) is ethyl 4-chloro-1-methyl-6-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-1-methyl-6-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-1-methyl-6-oxopyridine-3-carboxylate is CCOC(=O)c1cn(C)c(=O)cc1Cl.
What is the InChIKey of ethyl 4-chloro-1-methyl-6-oxopyridine-3-carboxylate?
The InChIKey is WGSWOEOJYNQPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-3-14-9(13)6-5-11(2)8(12)4-7(6)10/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 4-chloro-1-methyl-6-oxopyridine-3-carboxylate?
ethyl 4-chloro-1-methyl-6-oxopyridine-3-carboxylate has a molecular weight of 215.64 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-1-methyl-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 11615451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).