ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate

C11H9ClN2O3 — CID 3932782

IUPACethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(Cl)cn2c1=O
InChIInChI=1S/C11H9ClN2O3/c1-2-17-11(16)8-5-13-9-4-3-7(12)6-14(9)10(8)15/h3-6H,2H2,1H3
InChIKeyAQDZYTGKOBFITO-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.52
Rot. Bonds2

About ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate

ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate (PubChem CID 3932782) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
PubChem CID3932782
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Nameethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(Cl)cn2c1=O
InChIInChI=1S/C11H9ClN2O3/c1-2-17-11(16)8-5-13-9-4-3-7(12)6-14(9)10(8)15/h3-6H,2H2,1H3
InChIKeyAQDZYTGKOBFITO-UHFFFAOYSA-N
XLogP1.52
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-ethyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 172821533
ethyl 4-chloro-2-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate
CID 163718815
N-(5-chloro-2-methylphenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878752
3-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 82507970
ethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 5260614
ethyl 5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate
CID 7454231
ethyl 2-(bromomethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 22397189
ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 17389574
butyl 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 113222289
ethyl 7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 13216595
ethyl 8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 121384978
ethyl 6-iodoimidazo[1,2-a]pyridine-3-carboxylate
CID 69203579

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate (CID 3932782) is ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnc2ccc(Cl)cn2c1=O.
What is the InChIKey of ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate?
The InChIKey is AQDZYTGKOBFITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c1-2-17-11(16)8-5-13-9-4-3-7(12)6-14(9)10(8)15/h3-6H,2H2,1H3.
What are the key properties of ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate?
ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate has a molecular weight of 252.66 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 3932782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).