ethyl 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-oxopyrido[1,2-a]pyrimidine-7-carboxylate

C19H16ClFN2O3 — CID 178069931

IUPACethyl 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-oxopyrido[1,2-a]pyrimidine-7-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(Cl)cc2F)c2nc(C)c(C)cn2c1=O
InChIInChI=1S/C19H16ClFN2O3/c1-4-26-19(25)15-8-14(13-6-5-12(20)7-16(13)21)17-22-11(3)10(2)9-23(17)18(15)24/h5-9H,4H2,1-3H3
InChIKeyHFLVKZFUJZBVSA-UHFFFAOYSA-N
MW374.80 g/mol
LogP3.95
Rot. Bonds3

About ethyl 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-oxopyrido[1,2-a]pyrimidine-7-carboxylate

ethyl 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-oxopyrido[1,2-a]pyrimidine-7-carboxylate (PubChem CID 178069931) has the molecular formula C19H16ClFN2O3 and a molecular weight of 374.80 g/mol. Its IUPAC name is ethyl 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-oxopyrido[1,2-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Nameethyl 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-oxopyrido[1,2-a]pyrimidine-7-carboxylate
PubChem CID178069931
Molecular FormulaC19H16ClFN2O3
Molecular Weight374.80 g/mol
Exact Mass374.08
IUPAC Nameethyl 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-oxopyrido[1,2-a]pyrimidine-7-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(Cl)cc2F)c2nc(C)c(C)cn2c1=O
InChIInChI=1S/C19H16ClFN2O3/c1-4-26-19(25)15-8-14(13-6-5-12(20)7-16(13)21)17-22-11(3)10(2)9-23(17)18(15)24/h5-9H,4H2,1-3H3
InChIKeyHFLVKZFUJZBVSA-UHFFFAOYSA-N
XLogP3.95
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-oxopyrido[1,2-a]pyrimidine-7-carboxylate with MolForge

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Related Compounds

ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 3932782
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
ethyl 5-chloro-2-(2-methylphenyl)benzoate
CID 142890235
ethyl 8-chloro-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate
CID 56608591
ethyl 6-(2-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 115917522
7-bromo-9-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrazino[1,2-a]pyrimidin-4-one
CID 176675689
ethyl 5-chloro-2-cyano-3-fluorobenzoate
CID 134650913
ethyl 6-chloro-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate
CID 154730382
ethyl 5-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate
CID 77174619
ethyl 3-fluoro-2,6-dioxo-9-(2,3,4,5,6-pentafluorophenyl)-1H-pyrido[1,2-a]pyrimidine-7-carboxylate
CID 10549923
ethyl 8,9-dichloro-1-cyclopropyl-7-fluoro-4-oxoquinolizine-3-carboxylate
CID 10617388
ethyl 1-(3-chloro-4-fluorophenyl)-5-methylpyrazole-4-carboxylate
CID 83401193

Frequently Asked Questions

What is the IUPAC name of ethyl 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-oxopyrido[1,2-a]pyrimidine-7-carboxylate?
The IUPAC name of ethyl 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-oxopyrido[1,2-a]pyrimidine-7-carboxylate (CID 178069931) is ethyl 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-oxopyrido[1,2-a]pyrimidine-7-carboxylate.
What is the SMILES notation for ethyl 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-oxopyrido[1,2-a]pyrimidine-7-carboxylate?
The canonical SMILES for ethyl 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-oxopyrido[1,2-a]pyrimidine-7-carboxylate is CCOC(=O)c1cc(-c2ccc(Cl)cc2F)c2nc(C)c(C)cn2c1=O.
What is the InChIKey of ethyl 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-oxopyrido[1,2-a]pyrimidine-7-carboxylate?
The InChIKey is HFLVKZFUJZBVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3/c1-4-26-19(25)15-8-14(13-6-5-12(20)7-16(13)21)17-22-11(3)10(2)9-23(17)18(15)24/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-oxopyrido[1,2-a]pyrimidine-7-carboxylate?
ethyl 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-oxopyrido[1,2-a]pyrimidine-7-carboxylate has a molecular weight of 374.80 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-oxopyrido[1,2-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 178069931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).