ethyl 3-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylate

C16H13FN2O2 — CID 131988344

IUPACethyl 3-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylate
SMILESCCOC(=O)c1ccn2cc(-c3ccc(F)cc3)cnc12
InChIInChI=1S/C16H13FN2O2/c1-2-21-16(20)14-7-8-19-10-12(9-18-15(14)19)11-3-5-13(17)6-4-11/h3-10H,2H2,1H3
InChIKeyRMLFSPVXNNVWID-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.32
Rot. Bonds3

About ethyl 3-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylate

ethyl 3-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylate (PubChem CID 131988344) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is ethyl 3-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylate
PubChem CID131988344
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Nameethyl 3-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylate
SMILESCCOC(=O)c1ccn2cc(-c3ccc(F)cc3)cnc12
InChIInChI=1S/C16H13FN2O2/c1-2-21-16(20)14-7-8-19-10-12(9-18-15(14)19)11-3-5-13(17)6-4-11/h3-10H,2H2,1H3
InChIKeyRMLFSPVXNNVWID-UHFFFAOYSA-N
XLogP3.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylate
CID 156896155
ethyl 4-(4-fluorophenyl)-2-hydroxybenzoate
CID 125477835
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259
3-ethoxycarbonyl-2-(4-fluorophenyl)benzoic acid
CID 169449758
ethyl 1-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxylate
CID 46835601
ethyl 1-(4-fluorophenyl)-6-(hydroxymethyl)indolizine-2-carboxylate
CID 67068218
ethyl 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 58208449
ethyl 4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carboxylate
CID 132851457
ethyl 5-(4-fluorophenyl)-1-methyl-4-oxopyridazine-3-carboxylate
CID 175918303
diethyl 3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxylate
CID 142563798
ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate
CID 59588379
ethyl 5-fluoropyridine-2-carboxylate
CID 10986675

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylate?
The IUPAC name of ethyl 3-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylate (CID 131988344) is ethyl 3-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylate.
What is the SMILES notation for ethyl 3-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylate?
The canonical SMILES for ethyl 3-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylate is CCOC(=O)c1ccn2cc(-c3ccc(F)cc3)cnc12.
What is the InChIKey of ethyl 3-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylate?
The InChIKey is RMLFSPVXNNVWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-2-21-16(20)14-7-8-19-10-12(9-18-15(14)19)11-3-5-13(17)6-4-11/h3-10H,2H2,1H3.
What are the key properties of ethyl 3-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylate?
ethyl 3-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylate has a molecular weight of 284.29 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylate is sourced from PubChem (CID 131988344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).