ethyl 2-(2-bromo-5-fluorophenyl)-4-ethylpyrimidine-5-carboxylate

C15H14BrFN2O2 — CID 107923921

IUPACethyl 2-(2-bromo-5-fluorophenyl)-4-ethylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cc(F)ccc2Br)nc1CC
InChIInChI=1S/C15H14BrFN2O2/c1-3-13-11(15(20)21-4-2)8-18-14(19-13)10-7-9(17)5-6-12(10)16/h5-8H,3-4H2,1-2H3
InChIKeyGCYVAILQFRJCSK-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.78
Rot. Bonds4

About ethyl 2-(2-bromo-5-fluorophenyl)-4-ethylpyrimidine-5-carboxylate

ethyl 2-(2-bromo-5-fluorophenyl)-4-ethylpyrimidine-5-carboxylate (PubChem CID 107923921) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is ethyl 2-(2-bromo-5-fluorophenyl)-4-ethylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-bromo-5-fluorophenyl)-4-ethylpyrimidine-5-carboxylate
PubChem CID107923921
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Nameethyl 2-(2-bromo-5-fluorophenyl)-4-ethylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cc(F)ccc2Br)nc1CC
InChIInChI=1S/C15H14BrFN2O2/c1-3-13-11(15(20)21-4-2)8-18-14(19-13)10-7-9(17)5-6-12(10)16/h5-8H,3-4H2,1-2H3
InChIKeyGCYVAILQFRJCSK-UHFFFAOYSA-N
XLogP3.78
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-bromo-5-fluorophenyl)-4-ethylpyrimidine-5-carboxylate
CID 102972874
ethyl 2-(3-bromo-2-pyridinyl)-4-ethylpyrimidine-5-carboxylate
CID 102972858
2-(2-bromo-5-fluorophenyl)-4-methylpyrimidine-5-carboxylic acid
CID 107923912
ethyl 2-(2-chloro-4-fluorophenyl)-4-methylpyrimidine-5-carboxylate
CID 102972448
ethyl 2-(3,5-dichlorophenyl)-4-ethylpyrimidine-5-carboxylate
CID 107918029
ethyl 4-ethyl-2-(2H-triazol-4-yl)pyrimidine-5-carboxylate
CID 102972829
ethyl 5-(2-bromo-5-fluorophenyl)-1-methyl-1,2,4-triazole-3-carboxylate
CID 63382372
2-(2-bromo-5-fluorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 107923913
ethyl 2-(5-bromo-2-pyridinyl)-4-propylpyrimidine-5-carboxylate
CID 102972749
ethyl 2-(5-bromo-3-pyridinyl)-4-(chloromethyl)pyrimidine-5-carboxylate
CID 102973426
ethyl 2-ethyl-7-fluoro-5H-indeno[1,2-b]pyridine-3-carboxylate
CID 116532889
2-(2-ethoxyphenyl)-4-ethylpyrimidine-5-carboxylic acid
CID 115534194

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-bromo-5-fluorophenyl)-4-ethylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(2-bromo-5-fluorophenyl)-4-ethylpyrimidine-5-carboxylate (CID 107923921) is ethyl 2-(2-bromo-5-fluorophenyl)-4-ethylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-bromo-5-fluorophenyl)-4-ethylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(2-bromo-5-fluorophenyl)-4-ethylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2cc(F)ccc2Br)nc1CC.
What is the InChIKey of ethyl 2-(2-bromo-5-fluorophenyl)-4-ethylpyrimidine-5-carboxylate?
The InChIKey is GCYVAILQFRJCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-3-13-11(15(20)21-4-2)8-18-14(19-13)10-7-9(17)5-6-12(10)16/h5-8H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(2-bromo-5-fluorophenyl)-4-ethylpyrimidine-5-carboxylate?
ethyl 2-(2-bromo-5-fluorophenyl)-4-ethylpyrimidine-5-carboxylate has a molecular weight of 353.19 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-bromo-5-fluorophenyl)-4-ethylpyrimidine-5-carboxylate is sourced from PubChem (CID 107923921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).