ethyl 4-chloro-1,5-dimethyl-6-oxopyridine-3-carboxylate

C10H12ClNO3 — CID 11680224

IUPACethyl 4-chloro-1,5-dimethyl-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1cn(C)c(=O)c(C)c1Cl
InChIInChI=1S/C10H12ClNO3/c1-4-15-10(14)7-5-12(3)9(13)6(2)8(7)11/h5H,4H2,1-3H3
InChIKeyLRPZMBUONONUPF-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.52
Rot. Bonds2

About ethyl 4-chloro-1,5-dimethyl-6-oxopyridine-3-carboxylate

ethyl 4-chloro-1,5-dimethyl-6-oxopyridine-3-carboxylate (PubChem CID 11680224) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is ethyl 4-chloro-1,5-dimethyl-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-1,5-dimethyl-6-oxopyridine-3-carboxylate
PubChem CID11680224
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Nameethyl 4-chloro-1,5-dimethyl-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1cn(C)c(=O)c(C)c1Cl
InChIInChI=1S/C10H12ClNO3/c1-4-15-10(14)7-5-12(3)9(13)6(2)8(7)11/h5H,4H2,1-3H3
InChIKeyLRPZMBUONONUPF-UHFFFAOYSA-N
XLogP1.52
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-1,5-dimethyl-6-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 4-chloro-1,5-dimethyl-6-oxopyridine-3-carboxylate (CID 11680224) is ethyl 4-chloro-1,5-dimethyl-6-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-1,5-dimethyl-6-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-1,5-dimethyl-6-oxopyridine-3-carboxylate is CCOC(=O)c1cn(C)c(=O)c(C)c1Cl.
What is the InChIKey of ethyl 4-chloro-1,5-dimethyl-6-oxopyridine-3-carboxylate?
The InChIKey is LRPZMBUONONUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-4-15-10(14)7-5-12(3)9(13)6(2)8(7)11/h5H,4H2,1-3H3.
What are the key properties of ethyl 4-chloro-1,5-dimethyl-6-oxopyridine-3-carboxylate?
ethyl 4-chloro-1,5-dimethyl-6-oxopyridine-3-carboxylate has a molecular weight of 229.66 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-1,5-dimethyl-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 11680224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).