ethyl 4-(2,5-difluorobenzoyl)pyrimidine-5-carboxylate

C14H10F2N2O3 — CID 10266312

IUPACethyl 4-(2,5-difluorobenzoyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cncnc1C(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H10F2N2O3/c1-2-21-14(20)10-6-17-7-18-12(10)13(19)9-5-8(15)3-4-11(9)16/h3-7H,2H2,1H3
InChIKeyCTQUIKCDRWHONL-UHFFFAOYSA-N
MW292.24 g/mol
LogP2.16
Rot. Bonds4

About ethyl 4-(2,5-difluorobenzoyl)pyrimidine-5-carboxylate

ethyl 4-(2,5-difluorobenzoyl)pyrimidine-5-carboxylate (PubChem CID 10266312) has the molecular formula C14H10F2N2O3 and a molecular weight of 292.24 g/mol. Its IUPAC name is ethyl 4-(2,5-difluorobenzoyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,5-difluorobenzoyl)pyrimidine-5-carboxylate
PubChem CID10266312
Molecular FormulaC14H10F2N2O3
Molecular Weight292.24 g/mol
Exact Mass292.07
IUPAC Nameethyl 4-(2,5-difluorobenzoyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cncnc1C(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H10F2N2O3/c1-2-21-14(20)10-6-17-7-18-12(10)13(19)9-5-8(15)3-4-11(9)16/h3-7H,2H2,1H3
InChIKeyCTQUIKCDRWHONL-UHFFFAOYSA-N
XLogP2.16
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(2,5-difluorobenzoyl)pyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,5-difluorobenzoyl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(2,5-difluorobenzoyl)pyrimidine-5-carboxylate (CID 10266312) is ethyl 4-(2,5-difluorobenzoyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(2,5-difluorobenzoyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(2,5-difluorobenzoyl)pyrimidine-5-carboxylate is CCOC(=O)c1cncnc1C(=O)c1cc(F)ccc1F.
What is the InChIKey of ethyl 4-(2,5-difluorobenzoyl)pyrimidine-5-carboxylate?
The InChIKey is CTQUIKCDRWHONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3/c1-2-21-14(20)10-6-17-7-18-12(10)13(19)9-5-8(15)3-4-11(9)16/h3-7H,2H2,1H3.
What are the key properties of ethyl 4-(2,5-difluorobenzoyl)pyrimidine-5-carboxylate?
ethyl 4-(2,5-difluorobenzoyl)pyrimidine-5-carboxylate has a molecular weight of 292.24 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,5-difluorobenzoyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 10266312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).